[3-(4-nitrophenyl)carbonyl-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid

Systemtic Name: [3-(4-nitrophenyl)carbonyl-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Openeye Name: [3-(4-nitrobenzoyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[(4-nitrophenyl)-oxomethyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [3-(4-nitrobenzoyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: [5-(4-nitrobenzoyl)-3-phosphono-2-pyrazolin-3-yl]phosphonic acid Formula: C10H11N3O9P2 MolecularWeight: 379.156562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1(P(=O)(O)O)P(=O)(O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(=NNC1(P(=O)(O)O)P(=O)(O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O9P2/c14-9(6-1-3-7(4-2-6)13(15)16)8-5-10(12-11-8,23(17,18)19)24(20,21)22/h1-4,12H,5H2,(H2,17,18,19)(H2,20,21,22)