[1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylanilino)propan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O5/c1-16(24(29)27-21-10-6-5-9-20(21)17-7-3-2-4-8-17)33-25(30)18-11-14-22(26-19-12-13-19)23(15-18)28(31)32/h2-11,14-16,19,26H,12-13H2,1H3,(H,27,29)