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

Systemtic Name: (4E)-4-[4-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[4-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[4-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[4-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[4-(3,4-dimethoxyphenyl)-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CNNC2=C3C=CC(=O)C=C3O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C\2=CNN/C2=C/3\C=CC(=O)C=C3O)OC

InChI

InChI=1S/C17H16N2O4/c1-22-15-6-3-10(7-16(15)23-2)13-9-18-19-17(13)12-5-4-11(20)8-14(12)21/h3-9,18-19,21H,1-2H3/b17-12+