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

Systemtic Name: 6-[4-(3-bromophenyl)carbonyl-1,2-dihydropyrazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(3-bromobenzoyl)-1,2-dihydropyrazol-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[4-[(3-bromophenyl)-oxomethyl]-1,2-dihydropyrazol-3-ylidene]-4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(3-bromobenzoyl)-1,2-dihydropyrazol-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(3-bromobenzoyl)-3-pyrazolin-3-ylidene]-4-methyl-cyclohexa-2,4-dien-1-one Formula: C17H13BrN2O2 MolecularWeight: 357.20132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CNN2)C(=O)C3=CC(=CC=C3)Br)C(=O)C=C1

Isomeric SMILES

CC1=CC(=C2C(=CNN2)C(=O)C3=CC(=CC=C3)Br)C(=O)C=C1

InChI

InChI=1S/C17H13BrN2O2/c1-10-5-6-15(21)13(7-10)16-14(9-19-20-16)17(22)11-3-2-4-12(18)8-11/h2-9,19-20H,1H3