(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-ethylphenyl)-5-methyl-pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)C(=N2)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/C(=N2)C

InChI

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