[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7/c1-21(2)14-7-5-12(9-15(14)22(25)26)19(24)29-11-18(23)20-13-6-8-16(27-3)17(10-13)28-4/h5-10H,11H2,1-4H3,(H,20,23)