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

Systemtic Name: (3S)-4-[(4-methoxyphenyl)amino]-3-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-(4-methoxyanilino)-3-(2-nitroanilino)-4-oxo-butanoic acid CAS Name: (3S)-4-(4-methoxyanilino)-3-(2-nitroanilino)-4-oxobutanoic acid IUPAC Name: (3S)-4-(4-methoxyanilino)-3-(2-nitroanilino)-4-oxobutanoic acid Traditional Name: (3S)-4-keto-3-(2-nitroanilino)-4-(p-anisidino)butyric acid Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(CC(=O)O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)[C@H](CC(=O)O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-26-12-8-6-11(7-9-12)18-17(23)14(10-16(21)22)19-13-4-2-3-5-15(13)20(24)25/h2-9,14,19H,10H2,1H3,(H,18,23)(H,21,22)/t14-/m0/s1