(6Z)-6-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-4-butan-2-yl-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-4-butan-2-yl-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-sec-butyl-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-4-butan-2-yl-3-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazol-3-ylidene]-4-butan-2-yl-3-hydroxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[4-(1,3-benzodioxol-5-yl)-3-pyrazolin-3-ylidene]-3-hydroxy-4-sec-butyl-cyclohexa-2,4-dien-1-one Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C2C(=CNN2)C3=CC4=C(C=C3)OCO4)C(=O)C=C1O

Isomeric SMILES

CCC(C)C1=C/C(=C/2\C(=CNN2)C3=CC4=C(C=C3)OCO4)/C(=O)C=C1O

InChI

InChI=1S/C20H20N2O4/c1-3-11(2)13-7-14(17(24)8-16(13)23)20-15(9-21-22-20)12-4-5-18-19(6-12)26-10-25-18/h4-9,11,21-23H,3,10H2,1-2H3/b20-14-