ethyl (E)-6-cyano-7-(2-hydroxyphenyl)-4-methyl-3,7-bis(oxidanylidene)hept-5-enoate

Systemtic Name: ethyl (E)-6-cyano-7-(2-hydroxyphenyl)-4-methyl-3,7-bis(oxidanylidene)hept-5-enoate Openeye Name: ethyl (E)-6-cyano-7-(2-hydroxyphenyl)-4-methyl-3,7-dioxo-hept-5-enoate CAS Name: (E)-6-cyano-7-(2-hydroxyphenyl)-4-methyl-3,7-dioxo-5-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-6-cyano-7-(2-hydroxyphenyl)-4-methyl-3,7-dioxohept-5-enoate Traditional Name: (E)-6-cyano-7-(2-hydroxyphenyl)-3,7-diketo-4-methyl-hept-5-enoic acid ethyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(C)C=C(C#N)C(=O)C1=CC=CC=C1O

Isomeric SMILES

CCOC(=O)CC(=O)C(C)/C=C(\C#N)/C(=O)C1=CC=CC=C1O

InChI

InChI=1S/C17H17NO5/c1-3-23-16(21)9-15(20)11(2)8-12(10-18)17(22)13-6-4-5-7-14(13)19/h4-8,11,19H,3,9H2,1-2H3/b12-8+