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

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-chloranyl-2-methyl-phenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-(3-chloro-2-methyl-phenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-chloro-2-methylphenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-chloro-2-methylphenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3-chloro-2-methyl-phenyl)-5-methyl-4-piperonylidene-2-pyrazolin-3-one Formula: C19H15ClN2O3 MolecularWeight: 354.787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)C(=N2)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/C(=N2)C

InChI

InChI=1S/C19H15ClN2O3/c1-11-15(20)4-3-5-16(11)22-19(23)14(12(2)21-22)8-13-6-7-17-18(9-13)25-10-24-17/h3-9H,10H2,1-2H3/b14-8+