(6E)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-pyrazolin-3-ylidene]-4-ethyl-3-hydroxy-cyclohexa-2,4-dien-1-one Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C)C3=CC4=C(C=C3)OCCO4)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C\2/C(=C(NN2)C)C3=CC4=C(C=C3)OCCO4)/C(=O)C=C1O

InChI

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