[2-(3,5-dimethylphenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]phosphonic acid

Systemtic Name: [2-(3,5-dimethylphenyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]phosphonic acid Openeye Name: [2-(3,5-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]phosphonic acid CAS Name: [2-(3,5-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]phosphonic acid IUPAC Name: [2-(3,5-dimethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]phosphonic acid Traditional Name: [1-(3,5-dimethylphenyl)-5-keto-3-phenyl-3-pyrazolin-4-yl]phosphonic acid Formula: C17H17N2O4P MolecularWeight: 344.301641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=C(N2)C3=CC=CC=C3)P(=O)(O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C(=C(N2)C3=CC=CC=C3)P(=O)(O)O)C

InChI

InChI=1S/C17H17N2O4P/c1-11-8-12(2)10-14(9-11)19-17(20)16(24(21,22)23)15(18-19)13-6-4-3-5-7-13/h3-10,18H,1-2H3,(H2,21,22,23)