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

Systemtic Name: [2-(3,5-dimethylphenyl)-1-ethyl-3-oxidanylidene-pyrazol-4-yl]phosphonic acid Openeye Name: [2-(3,5-dimethylphenyl)-1-ethyl-3-oxo-pyrazol-4-yl]phosphonic acid CAS Name: [2-(3,5-dimethylphenyl)-1-ethyl-3-oxo-4-pyrazolyl]phosphonic acid IUPAC Name: [2-(3,5-dimethylphenyl)-1-ethyl-3-oxopyrazol-4-yl]phosphonic acid Traditional Name: [2-(3,5-dimethylphenyl)-1-ethyl-3-keto-3-pyrazolin-4-yl]phosphonic acid Formula: C13H17N2O4P MolecularWeight: 296.258841

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N1C2=CC(=CC(=C2)C)C)P(=O)(O)O

Isomeric SMILES

CCN1C=C(C(=O)N1C2=CC(=CC(=C2)C)C)P(=O)(O)O

InChI

InChI=1S/C13H17N2O4P/c1-4-14-8-12(20(17,18)19)13(16)15(14)11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H2,17,18,19)