[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C18H19N3O7/c1-19-16-5-4-12(21(24)25)8-15(16)18(23)28-10-17(22)20-11-6-13(26-2)9-14(7-11)27-3/h4-9,19H,10H2,1-3H3,(H,20,22)