(6E)-6-[5-(6-bromanyl-4H-1,3-benzodioxin-8-yl)pyrazolidin-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[5-(6-bromanyl-4H-1,3-benzodioxin-8-yl)pyrazolidin-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[5-(6-bromo-4H-1,3-benzodioxin-8-yl)pyrazolidin-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[5-(6-bromo-4H-1,3-benzodioxin-8-yl)-3-pyrazolidinylidene]-3-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[5-(6-bromo-4H-1,3-benzodioxin-8-yl)pyrazolidin-3-ylidene]-3-methylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[5-(6-bromo-4H-1,3-benzodioxin-8-yl)pyrazolidin-3-ylidene]-3-methyl-cyclohexa-2,4-dien-1-one Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(NN2)C3=C4C(=CC(=C3)Br)COCO4)C=C1

Isomeric SMILES

CC1=CC(=O)/C(=C/2\CC(NN2)C3=C4C(=CC(=C3)Br)COCO4)/C=C1

InChI

InChI=1S/C18H17BrN2O3/c1-10-2-3-13(17(22)4-10)15-7-16(21-20-15)14-6-12(19)5-11-8-23-9-24-18(11)14/h2-6,16,20-21H,7-9H2,1H3/b15-13+