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

Systemtic Name: 4-[4-(4-bromophenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(4-bromophenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(4-bromophenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(4-bromophenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(4-bromophenyl)-5-methyl-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=O)C=C2O)NN1)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=C2C=CC(=O)C=C2O)NN1)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN2O2/c1-9-15(10-2-4-11(17)5-3-10)16(19-18-9)13-7-6-12(20)8-14(13)21/h2-8,18-19,21H,1H3