chempirical

4-Methoxy-3-nitrobenzamide

C8H8N2O4CAS 10397-58-7196.16 g/mol

Open in Covalent MOL file
ONH2ON+OO−
EtherNitro

Properties

Molecular formula
C8H8N2O4
Molar mass
196.16 g/mol
Exact mass
196.0484 Da
Melting point
117 °C
logP
1.49Crippen estimate
Polar surface area
96.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
10397-58-7
SMILES
COc1ccc(C(=N)O)cc1[N+](=O)[O-]
InChIKey
PCQFJXUTKOUTRW-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3,(H2,9,11)

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Names and synonyms

3 names
  • Benzamide, 4-methoxy-3-nitro-
  • p-Anisamide, 3-nitro-
  • 3-Nitro-p-anisamide

Work with 4-Methoxy-3-nitrobenzamide

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

4-Methoxy-3-nitrobenzoic acid89-41-870 % similar 4-Methyl-3-nitrobenzamide19013-11-765 % similar 1-(4-Methoxy-3-nitrophenyl)ethanone6277-38-964 % similar 4-Chloro-3-nitrobenzamide16588-06-063 % similar Iniparib160003-66-761 % similar 3,4-Dimethoxybenzamide1521-41-160 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-358 % similar 2,4-Dinitroanisole119-27-757 % similar

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

Same formula

Methyl 4-amino-3-nitrobenzoate3987-92-6 4-(Methylamino)-3-nitrobenzoic acid41263-74-5 Methyl 3-nitroanthranilate57113-91-4

Elsewhere

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