[2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-oxo-2-[4-[oxo(propoxy)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-(4-propoxycarbonylanilino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C20H21N3O7/c1-3-10-29-19(25)13-4-6-14(7-5-13)22-18(24)12-30-20(26)16-11-15(23(27)28)8-9-17(16)21-2/h4-9,11,21H,3,10,12H2,1-2H3,(H,22,24)