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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=C(C#N)C(=O)C1=CC=CC=C1O)C(=O)CC(=O)OC

Isomeric SMILES

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

InChI

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