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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethylene)-2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-one CAS Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-5-methyl-3-pyrazolone IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2-(2,4-dichlorophenyl)-5-methylpyrazol-3-one Traditional Name: 2-(2,4-dichlorophenyl)-5-methyl-4-piperonylidene-2-pyrazolin-3-one Formula: C18H12Cl2N2O3 MolecularWeight: 375.20548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H12Cl2N2O3/c1-10-13(6-11-2-5-16-17(7-11)25-9-24-16)18(23)22(21-10)15-4-3-12(19)8-14(15)20/h2-8H,9H2,1H3