2-[[[(2-nitrophenyl)amino]methyl-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[[(2-nitrophenyl)amino]methyl-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[(2-nitroanilino)methyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[(2-nitroanilino)methyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[(2-nitroanilino)methyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[(2-nitroanilino)methyl]phosphoryl]methyl]glutaric acid Formula: C13H17N2O8P MolecularWeight: 360.256441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N2O8P/c16-12(17)6-5-9(13(18)19)7-24(22,23)8-14-10-3-1-2-4-11(10)15(20)21/h1-4,9,14H,5-8H2,(H,16,17)(H,18,19)(H,22,23)