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

Systemtic Name: 1-butyl-2-(3,5-dimethylphenyl)-4-phosphonato-pyrazol-3-one Openeye Name: 1-butyl-2-(3,5-dimethylphenyl)-4-phosphonato-pyrazol-3-one CAS Name: 1-butyl-2-(3,5-dimethylphenyl)-4-phosphonato-3-pyrazolone IUPAC Name: 1-butyl-2-(3,5-dimethylphenyl)-4-phosphonatopyrazol-3-one Traditional Name: 1-butyl-2-(3,5-dimethylphenyl)-4-phosphonato-3-pyrazolin-3-one Formula: C15H19N2O4P-2 MolecularWeight: 322.296121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)N1C2=CC(=CC(=C2)C)C)P(=O)([O-])[O-]

Isomeric SMILES

CCCCN1C=C(C(=O)N1C2=CC(=CC(=C2)C)C)P(=O)([O-])[O-]

InChI

InChI=1S/C15H21N2O4P/c1-4-5-6-16-10-14(22(19,20)21)15(18)17(16)13-8-11(2)7-12(3)9-13/h7-10H,4-6H2,1-3H3,(H2,19,20,21)/p-2