[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H21N3O6/c28-22(25-19-11-13-20(14-12-19)27(31)32)16-33-23(29)15-21(17-7-3-1-4-8-17)26-24(30)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,25,28)(H,26,30)