ethyl 4-[5-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)C(C)(C)C

InChI

InChI=1S/C21H21NO4/c1-5-25-20(24)15-8-6-14(7-9-15)18-11-10-17(26-18)12-16(13-22)19(23)21(2,3)4/h6-12H,5H2,1-4H3/b16-12+