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

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-bromophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-(3-bromophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-bromophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-bromophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3-bromophenyl)-5-methyl-4-piperonylidene-2-pyrazolin-3-one Formula: C18H13BrN2O3 MolecularWeight: 385.21142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C18H13BrN2O3/c1-11-15(7-12-5-6-16-17(8-12)24-10-23-16)18(22)21(20-11)14-4-2-3-13(19)9-14/h2-9H,10H2,1H3/b15-7+