(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-methylphenyl)pyrazol-3-one

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-methyl-2-(p-tolyl)pyrazol-3-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-methylphenyl)pyrazol-3-one Traditional Name: (4E)-5-methyl-4-piperonylidene-2-(p-tolyl)-2-pyrazolin-3-one Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/C(=N2)C

InChI

InChI=1S/C19H16N2O3/c1-12-3-6-15(7-4-12)21-19(22)16(13(2)20-21)9-14-5-8-17-18(10-14)24-11-23-17/h3-10H,11H2,1-2H3/b16-9+