[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(4-isopropoxycarbonylanilino)-2-keto-ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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