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

Systemtic Name: (4E)-4-[4-(4-bromanylphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[4-(4-bromophenoxy)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[4-(4-bromophenoxy)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[4-(4-bromophenoxy)-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[4-(4-bromophenoxy)-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C15H11BrN2O3 MolecularWeight: 347.16344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CNNC2=C3C=CC(=O)C=C3O)Br

Isomeric SMILES

C1=CC(=CC=C1OC\2=CNN/C2=C/3\C=CC(=O)C=C3O)Br

InChI

InChI=1S/C15H11BrN2O3/c16-9-1-4-11(5-2-9)21-14-8-17-18-15(14)12-6-3-10(19)7-13(12)20/h1-8,17-18,20H/b15-12+