6-[5-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[5-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[5-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[5-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[5-(3-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-3-methylcyclohexa-2,4-dien-1-one Traditional Name: 6-[5-(3-bromophenyl)-3-pyrazolin-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Formula: C16H13BrN2O MolecularWeight: 329.19122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2C=C(NN2)C3=CC(=CC=C3)Br)C=C1

Isomeric SMILES

CC1=CC(=O)C(=C2C=C(NN2)C3=CC(=CC=C3)Br)C=C1

InChI

InChI=1S/C16H13BrN2O/c1-10-5-6-13(16(20)7-10)15-9-14(18-19-15)11-3-2-4-12(17)8-11/h2-9,18-19H,1H3