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

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-5-methyl-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=O)C=C2O)NN1)C3=C4C(=CC=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=C2C=CC(=O)C=C2O)NN1)C3=C4C(=CC=C3)OCCCO4

InChI

InChI=1S/C19H18N2O4/c1-11-17(14-4-2-5-16-19(14)25-9-3-8-24-16)18(21-20-11)13-7-6-12(22)10-15(13)23/h2,4-7,10,20-21,23H,3,8-9H2,1H3