2-phenyl-3-(2-phosphonatoethyl)-1H-pyrazol-5-one

Systemtic Name: 2-phenyl-3-(2-phosphonatoethyl)-1H-pyrazol-5-one Openeye Name: 2-phenyl-3-(2-phosphonatoethyl)-1H-pyrazol-5-one CAS Name: 2-phenyl-3-(2-phosphonatoethyl)-1H-pyrazol-5-one IUPAC Name: 2-phenyl-3-(2-phosphonatoethyl)-1H-pyrazol-5-one Traditional Name: 1-phenyl-5-(2-phosphonatoethyl)-3-pyrazolin-3-one Formula: C11H11N2O4P-2 MolecularWeight: 266.189801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=O)N2)CCP(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=O)N2)CCP(=O)([O-])[O-]

InChI

InChI=1S/C11H13N2O4P/c14-11-8-10(6-7-18(15,16)17)13(12-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,14)(H2,15,16,17)/p-2