2-(3,5-dimethylphenyl)-1-ethyl-4-phosphonato-pyrazol-3-one

Systemtic Name: 2-(3,5-dimethylphenyl)-1-ethyl-4-phosphonato-pyrazol-3-one Openeye Name: 2-(3,5-dimethylphenyl)-1-ethyl-4-phosphonato-pyrazol-3-one CAS Name: 2-(3,5-dimethylphenyl)-1-ethyl-4-phosphonato-3-pyrazolone IUPAC Name: 2-(3,5-dimethylphenyl)-1-ethyl-4-phosphonatopyrazol-3-one Traditional Name: 2-(3,5-dimethylphenyl)-1-ethyl-4-phosphonato-3-pyrazolin-3-one Formula: C13H15N2O4P-2 MolecularWeight: 294.242961

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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)/p-2