2-[(1S)-1-azanyl-2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[(1S)-1-azanyl-2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[(1S)-1-amino-2-(4-nitroanilino)-2-oxo-ethyl]butanedioic acid CAS Name: 2-[(1S)-1-amino-2-(4-nitroanilino)-2-oxoethyl]butanedioic acid IUPAC Name: 2-[(1S)-1-amino-2-(4-nitroanilino)-2-oxoethyl]butanedioic acid Traditional Name: 2-[(1S)-1-amino-2-keto-2-(4-nitroanilino)ethyl]succinic acid Formula: C12H13N3O7 MolecularWeight: 311.24752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(C(CC(=O)O)C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)[C@H](C(CC(=O)O)C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O7/c13-10(8(12(19)20)5-9(16)17)11(18)14-6-1-3-7(4-2-6)15(21)22/h1-4,8,10H,5,13H2,(H,14,18)(H,16,17)(H,19,20)/t8?,10-/m0/s1