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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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