(2S)-2-azanyl-4-carboxy-5-(2-nitrophenyl)-6-oxidanyl-6-oxidanylidene-hexanoate

Systemtic Name: (2S)-2-azanyl-4-carboxy-5-(2-nitrophenyl)-6-oxidanyl-6-oxidanylidene-hexanoate Openeye Name: (2S)-2-amino-4-carboxy-6-hydroxy-5-(2-nitrophenyl)-6-oxo-hexanoate CAS Name: (2S)-2-amino-4-carboxy-6-hydroxy-5-(2-nitrophenyl)-6-oxohexanoate IUPAC Name: (2S)-2-amino-4-carboxy-6-hydroxy-5-(2-nitrophenyl)-6-oxohexanoate Traditional Name: (2S)-2-amino-4-carboxy-6-hydroxy-6-keto-5-(2-nitrophenyl)hexanoate Formula: C13H13N2O8- MolecularWeight: 325.25092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O8/c14-8(12(18)19)5-7(11(16)17)10(13(20)21)6-3-1-2-4-9(6)15(22)23/h1-4,7-8,10H,5,14H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t7?,8-,10?/m0/s1