methyl 3-[(4-azanyl-3-nitro-phenyl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[(4-azanyl-3-nitro-phenyl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[(4-amino-3-nitro-benzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[(4-amino-3-nitrophenyl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(4-amino-3-nitrobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[(4-amino-3-nitro-benzoyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O7/c1-27-16-7-5-11(9-17(16)28-2)14(10-18(23)29-3)21-19(24)12-4-6-13(20)15(8-12)22(25)26/h4-9,14H,10,20H2,1-3H3,(H,21,24)