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

Systemtic Name: 2-[[[[(2-nitrophenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[(2-nitroanilino)-phenyl-methyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[(2-nitroanilino)-phenylmethyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[(2-nitroanilino)-phenylmethyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[(2-nitroanilino)-phenyl-methyl]phosphoryl]methyl]glutaric acid Formula: C19H21N2O8P MolecularWeight: 436.352401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=CC=CC=C2[N+](=O)[O-])P(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=CC=CC=C2[N+](=O)[O-])P(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C19H21N2O8P/c22-17(23)11-10-14(19(24)25)12-30(28,29)18(13-6-2-1-3-7-13)20-15-8-4-5-9-16(15)21(26)27/h1-9,14,18,20H,10-12H2,(H,22,23)(H,24,25)(H,28,29)