2-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]prop-2-enoic acid

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]prop-2-enoic acid Openeye Name: 2-[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)isoxazol-5-yl]prop-2-enoic acid CAS Name: 2-[3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-isoxazolyl]-2-propenoic acid IUPAC Name: 2-[3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]prop-2-enoic acid Traditional Name: 2-[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-4-isoxazolin-5-yl]acrylic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=C(ON2)C(=C)C(=O)O)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=C(ON2)C(=C)C(=O)O)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C20H25NO4/c1-11(18(23)24)16-10-15(21-25-16)12-8-13(19(2,3)4)17(22)14(9-12)20(5,6)7/h8-10,21H,1H2,2-7H3,(H,23,24)