(2S)-4-azanyl-2-[2-(4-nitrophenyl)ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[2-(4-nitrophenyl)ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[2-(4-nitrophenyl)acetyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[2-(4-nitrophenyl)acetyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-4-keto-2-[[2-(4-nitrophenyl)acetyl]amino]butyric acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(CC(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)N[C@@H](CC(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6/c13-10(16)6-9(12(18)19)14-11(17)5-7-1-3-8(4-2-7)15(20)21/h1-4,9H,5-6H2,(H2,13,16)(H,14,17)(H,18,19)/t9-/m0/s1