methyl 4,5-dimethoxy-2-[3-[(2-nitrophenyl)amino]propanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[3-[(2-nitrophenyl)amino]propanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[3-(2-nitroanilino)propanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[3-(2-nitroanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[3-(2-nitroanilino)propanoylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[3-(2-nitroanilino)propanoylamino]benzoic 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(=O)OC)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])OC

InChI

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