[(E)-[4,4-dimethyl-2-(4-methylphenyl)carbonyl-5-phenyl-pyrazol-3-ylidene]methyl] ethanoate

Systemtic Name: [(E)-[4,4-dimethyl-2-(4-methylphenyl)carbonyl-5-phenyl-pyrazol-3-ylidene]methyl] ethanoate Openeye Name: [(E)-[4,4-dimethyl-2-(4-methylbenzoyl)-5-phenyl-pyrazol-3-ylidene]methyl] acetate CAS Name: acetic acid [(E)-[4,4-dimethyl-2-[(4-methylphenyl)-oxomethyl]-5-phenyl-3-pyrazolylidene]methyl] ester IUPAC Name: [(E)-[4,4-dimethyl-2-(4-methylbenzoyl)-5-phenylpyrazol-3-ylidene]methyl] acetate Traditional Name: acetic acid [(E)-(4,4-dimethyl-5-phenyl-2-p-toluoyl-2-pyrazolin-3-ylidene)methyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2/C(=C/OC(=O)C)/C(C(=N2)C3=CC=CC=C3)(C)C

InChI

InChI=1S/C22H22N2O3/c1-15-10-12-18(13-11-15)21(26)24-19(14-27-16(2)25)22(3,4)20(23-24)17-8-6-5-7-9-17/h5-14H,1-4H3/b19-14+