[2-oxidanylidene-2-[[2-(1-phenylethylcarbamoyl)phenyl]amino]ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(1-phenylethylcarbamoyl)phenyl]amino]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-[2-[oxo-(1-phenylethylamino)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] ester Formula: C25H24N4O6 MolecularWeight: 476.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O6/c1-16(17-8-4-3-5-9-17)27-24(31)19-10-6-7-11-20(19)28-23(30)15-35-25(32)18-12-13-21(26-2)22(14-18)29(33)34/h3-14,16,26H,15H2,1-2H3,(H,27,31)(H,28,30)