4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: 4-(3-nitroanilino)-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(benzylamino)-4-keto-4-(3-nitroanilino)butyric acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H17N3O5/c21-16(19-13-7-4-8-14(9-13)20(24)25)10-15(17(22)23)18-11-12-5-2-1-3-6-12/h1-9,15,18H,10-11H2,(H,19,21)(H,22,23)