chempirical

1′,3′-Dihydro-1′,3′,3′-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-[2H]indole]

C19H18N2O3CAS 1498-88-0322.36 g/mol

Open in Covalent MOL file
NN+OO−O
AlkeneEtherNitroTertiary amine

Properties

Molecular formula
C19H18N2O3
Molar mass
322.36 g/mol
Exact mass
322.1317 Da
Melting point
179–180 °C
logP
4.12Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
1498-88-0
SMILES
CN1c2ccccc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIKey
PSXPTGAEJZYNFI-UHFFFAOYSA-N
InChI
InChI=1S/C19H18N2O3/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21(22)23)8-9-17(13)24-19/h4-12H,1-3H3

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Names and synonyms

31 names · show all
  • Spiro[2H-1-benzopyran-2,2′-[2H]indole], 1′,3′-dihydro-1′,3′,3′-trimethyl-6-nitro-
  • Spiro[2H-1-benzopyran-2,2′-indoline], 1′,3′,3′-trimethyl-6-nitro-
  • 1′,3′,3′-Trimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-indoline]
  • 1,1,3-Trimethyl-6′-nitrospiro[indoline-2,2′-benzopyran]
  • 1,3,3-Trimethyl-2-(6-nitrospirobenzopyran-2-yl)indoline
  • 1,3,3-Trimethyl-6′-nitrospiro[indoline-2,2′-benzopyran]
  • 6′-Nitro-1,3,3-trimethylspiro[indoline-2,2′-2′H-chromene]
  • 1,3,3-Trimethyl-6-nitrospiro(2H-1-benzopyran-2,2′-indoline)
  • 1,3,3-Trimethyl-6′-nitrospiro[indoline-2,2′(2′H)-chromene]
  • 1,3,3-Trimethyl-6-nitroindoline-2-spiro-2,2-benzopyran
  • 6′-Nitro-1,3,3-trimethylspiro[2′H-1′-benzopyran-2′,2-indoline]
  • 1,3,3-Trimethyl-6′-nitrospiro(indolino-2,2′-benzopyran)
  • 1,3,3-Trimethyl-2-indolino-2′-spiro-6′-nitrobenzo[b]pyran
  • 1,3,3-Trimethyl-6′-nitrospiro[indole-2,2′-benzopyran]
  • 1,3,3-Trimethyl-6′-nitroindoline-2-spiro-2′-benzopyran
  • 6-Nitro-1′,3′,3′-trimethylspiro[2H-benzopyran-2,2′-indoline]
  • SP 1 (dye)
  • SP 1
  • 1,3,3-Trimethylindolino-6′-nitrospirobenzopyran
  • 6-Nitro-1′,3′,3′-trimethylspiro[2H-1-benzopyran-2,2′-indoline]
  • 6-Nitro-1′,3′,3′-trimethylspiro[1H-1-benzopyran-2,2′-indoline]
  • 2H-Spiro[6]nitrochromene-2,2′-[1,3,3]trimethylindoline
  • NSC 206176
  • 1′,3′,3′-Trimethyl-6-nitrospiro[1(2H)-benzopyran-2,2′-indoline]
  • 1,3,3-Trimethylindolino-6′-nitrobenzopyrylospiran
  • 1,3,3-Trimethyindolino-6′-nitrobenzopyry lospiran
  • T 0366
  • 1,3,3-Trimethyl-6′-nitro-indolinospirobenzopyran
  • 1′,3′,3′-Trimethyl-6-nitro-1′,3′-dihydrospiro[chromene-2,2′-indole]
  • 1′,3′,3′-Trimethyl-6-nitrospiro[chromene-2,2′-indole]
  • 1′,3′,3′-Trimethyl-6-nitrospiro[chromene-2,2′-indoline]

Work with 1′,3′-Dihydro-1′,3′,3′-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-[2H]indole]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dihydro-1,3,3-trimethylspiro[2H-indole-2,3′-[3H]naphth[2,1-B][1,4]oxazine]27333-47-744 % similar 1,3-Dihydro-1,3,3-trimethyl-6′-(1-piperidinyl)spiro[2H-indole-2,3′-[3H]naphth[2,1-B][1,4]oxazine]114747-45-440 % similar 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene654-76-235 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-135 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-435 % similar 2,4-Dinitroanisole119-27-734 % similar 2-Methoxy-4-nitrobenzaldehyde136507-15-834 % similar 2-Methoxy-5-nitrobenzenediazonium27165-17-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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