ethyl (2E)-2-[3-(4-cyanophenyl)-5,5-dimethyl-6-oxidanyl-cyclohex-3-en-1-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-[3-(4-cyanophenyl)-5,5-dimethyl-6-oxidanyl-cyclohex-3-en-1-ylidene]ethanoate Openeye Name: ethyl (2E)-2-[3-(4-cyanophenyl)-6-hydroxy-5,5-dimethyl-cyclohex-3-en-1-ylidene]acetate CAS Name: (2E)-2-[3-(4-cyanophenyl)-6-hydroxy-5,5-dimethyl-1-cyclohex-3-enylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[3-(4-cyanophenyl)-6-hydroxy-5,5-dimethylcyclohex-3-en-1-ylidene]acetate Traditional Name: (2E)-2-[3-(4-cyanophenyl)-6-hydroxy-5,5-dimethyl-cyclohex-3-en-1-ylidene]acetic acid ethyl ester Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CC(=CC(C1O)(C)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)/C=C/1\CC(=CC(C1O)(C)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H21NO3/c1-4-23-17(21)10-15-9-16(11-19(2,3)18(15)22)14-7-5-13(12-20)6-8-14/h5-8,10-11,18,22H,4,9H2,1-3H3/b15-10+