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

Systemtic Name: (3S)-3-acetamido-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-acetamido-4-(4-nitroanilino)-4-oxo-butanoic acid CAS Name: (3S)-3-acetamido-4-(4-nitroanilino)-4-oxobutanoic acid IUPAC Name: (3S)-3-acetamido-4-(4-nitroanilino)-4-oxobutanoic acid Traditional Name: (3S)-3-acetamido-4-keto-4-(4-nitroanilino)butyric acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c1-7(16)13-10(6-11(17)18)12(19)14-8-2-4-9(5-3-8)15(20)21/h2-5,10H,6H2,1H3,(H,13,16)(H,14,19)(H,17,18)/t10-/m0/s1