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

Systemtic Name: 4-[5-(3-butyl-4-oxidanyl-phenyl)-4-ethyl-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(3-butyl-4-hydroxy-phenyl)-4-ethyl-isoxazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(3-butyl-4-hydroxyphenyl)-4-ethyl-3-isoxazolylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(3-butyl-4-hydroxyphenyl)-4-ethyl-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(3-butyl-4-hydroxy-phenyl)-4-ethyl-4-isoxazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C2=C(C(=C3C=CC(=O)C=C3)NO2)CC)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C2=C(C(=C3C=CC(=O)C=C3)NO2)CC)O

InChI

InChI=1S/C21H23NO3/c1-3-5-6-15-13-16(9-12-19(15)24)21-18(4-2)20(22-25-21)14-7-10-17(23)11-8-14/h7-13,22,24H,3-6H2,1-2H3