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

Systemtic Name: (4E)-4-[4-(4-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-3-ethyl-5-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[4-(4-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-3-ethyl-5-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[4-(4-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-3-ethyl-5-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[4-(4-bromophenyl)-1,2-dihydropyrazol-3-ylidene]-3-ethyl-5-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[4-(4-bromophenyl)-3-pyrazolin-3-ylidene]-3-ethyl-5-hydroxy-cyclohexa-2,5-dien-1-one Formula: C17H15BrN2O2 MolecularWeight: 359.2172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)C=C(C1=C2C(=CNN2)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC\1=CC(=O)C=C(/C1=C/2\C(=CNN2)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H15BrN2O2/c1-2-10-7-13(21)8-15(22)16(10)17-14(9-19-20-17)11-3-5-12(18)6-4-11/h3-9,19-20,22H,2H2,1H3/b17-16+