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

Systemtic Name: [(E)-[4,4-dimethyl-2-(4-methylphenyl)carbonyl-pyrazol-3-ylidene]methyl] ethanoate Openeye Name: [(E)-[4,4-dimethyl-2-(4-methylbenzoyl)pyrazol-3-ylidene]methyl] acetate CAS Name: acetic acid [(E)-[4,4-dimethyl-2-[(4-methylphenyl)-oxomethyl]-3-pyrazolylidene]methyl] ester IUPAC Name: [(E)-[4,4-dimethyl-2-(4-methylbenzoyl)pyrazol-3-ylidene]methyl] acetate Traditional Name: acetic acid [(E)-(4,4-dimethyl-2-p-toluoyl-2-pyrazolin-3-ylidene)methyl] ester Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-11-5-7-13(8-6-11)15(20)18-14(9-21-12(2)19)16(3,4)10-17-18/h5-10H,1-4H3/b14-9+