chempirical

Ethyl 7-nitroindole-2-carboxylate

C11H10N2O4CAS 6960-46-9234.21 g/mol

Open in Covalent MOL file
OON+OO−NH
EsterNitro

Properties

Molecular formula
C11H10N2O4
Molar mass
234.21 g/mol
Exact mass
234.0641 Da
Melting point
92–93 °C
logP
2.25Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
6960-46-9
SMILES
CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIKey
GTZAIVBXGPLYGD-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2O4/c1-2-17-11(14)8-6-7-4-3-5-9(13(15)16)10(7)12-8/h3-6,12H,2H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester
  • Indole-2-carboxylic acid, 7-nitro-, ethyl ester
  • NSC 69878
  • Ethyl 7-nitro-1H-indole-2-carboxylate

Work with Ethyl 7-nitroindole-2-carboxylate

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

7-Nitro-1H-indole-2-carboxylic acid6960-45-860 % similar Ethyl o-nitrobenzoate610-34-457 % similar Ethyl 4-chloro-3-nitrobenzoate16588-16-253 % similar Ethyl m-nitrobenzoate618-98-452 % similar 4-Hydroxy-3-nitrobenzoic acid ethyl ester19013-10-649 % similar Ethyl 4-fluoro-3-nitrobenzoate367-80-649 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-048 % similar 1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate10560-13-147 % similar

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

Elsewhere

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