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

Systemtic Name: (4E)-4-[5-methyl-4-(2-methylphenyl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-3-hydroxy-4-[5-methyl-4-(o-tolyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4E)-3-hydroxy-4-[5-methyl-4-(2-methylphenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-3-hydroxy-4-[5-methyl-4-(2-methylphenyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-3-hydroxy-4-[5-methyl-4-(o-tolyl)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NNC2=C3C=CC(=O)C=C3O)C

Isomeric SMILES

CC1=CC=CC=C1C\2=C(NN/C2=C/3\C=CC(=O)C=C3O)C

InChI

InChI=1S/C17H16N2O2/c1-10-5-3-4-6-13(10)16-11(2)18-19-17(16)14-8-7-12(20)9-15(14)21/h3-9,18-19,21H,1-2H3/b17-14+