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

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4-dimethylphenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-piperonylidene-2-pyrazolin-3-one Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3/c1-12-4-6-16(8-13(12)2)22-20(23)17(14(3)21-22)9-15-5-7-18-19(10-15)25-11-24-18/h4-10H,11H2,1-3H3/b17-9+