4-[5-(3-bromanyl-4-oxidanyl-phenyl)-4-ethyl-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(3-bromanyl-4-oxidanyl-phenyl)-4-ethyl-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(3-bromo-4-hydroxy-phenyl)-4-ethyl-isoxazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(3-bromo-4-hydroxyphenyl)-4-ethyl-3-isoxazolylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(3-bromo-4-hydroxyphenyl)-4-ethyl-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(3-bromo-4-hydroxy-phenyl)-4-ethyl-4-isoxazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H14BrNO3 MolecularWeight: 360.20196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(ONC1=C2C=CC(=O)C=C2)C3=CC(=C(C=C3)O)Br

Isomeric SMILES

CCC1=C(ONC1=C2C=CC(=O)C=C2)C3=CC(=C(C=C3)O)Br

InChI

InChI=1S/C17H14BrNO3/c1-2-13-16(10-3-6-12(20)7-4-10)19-22-17(13)11-5-8-15(21)14(18)9-11/h3-9,19,21H,2H2,1H3