2-[[[[(4-nitrophenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[[[(4-nitrophenyl)amino]-phenyl-methyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[(4-nitroanilino)-phenyl-methyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[(4-nitroanilino)-phenylmethyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[(4-nitroanilino)-phenylmethyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[(4-nitroanilino)-phenyl-methyl]phosphoryl]methyl]glutaric acid Formula: C19H21N2O8P MolecularWeight: 436.352401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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