(4S)-4-azanyl-1-(2-nitrophenyl)butane-1,2,4-tricarboxylic acid

Systemtic Name: (4S)-4-azanyl-1-(2-nitrophenyl)butane-1,2,4-tricarboxylic acid Openeye Name: (4S)-4-amino-1-(2-nitrophenyl)butane-1,2,4-tricarboxylic acid CAS Name: (4S)-4-amino-1-(2-nitrophenyl)butane-1,2,4-tricarboxylic acid IUPAC Name: (4S)-4-amino-1-(2-nitrophenyl)butane-1,2,4-tricarboxylic acid Traditional Name: (4S)-4-amino-1-(2-nitrophenyl)butane-1,2,4-tricarboxylic acid Formula: C13H14N2O8 MolecularWeight: 326.25886

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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)/t7?,8-,10?/m0/s1