O1,O2-diethyl O6-methyl (3E,5Z)-2-cyano-3-methyl-hepta-3,5-diene-1,2,6-tricarboxylate

Systemtic Name: O1,O2-diethyl O6-methyl (3E,5Z)-2-cyano-3-methyl-hepta-3,5-diene-1,2,6-tricarboxylate Openeye Name: O1,O2-diethyl O6-methyl (3E,5Z)-2-cyano-3-methyl-hepta-3,5-diene-1,2,6-tricarboxylate CAS Name: (3E,5Z)-2-cyano-3-methylhepta-3,5-diene-1,2,6-tricarboxylic acid O1,O2-diethyl ester O6-methyl ester IUPAC Name: 1-O,2-O-diethyl 6-O-methyl (3E,5Z)-2-cyano-3-methylhepta-3,5-diene-1,2,6-tricarboxylate Traditional Name: (3E,5Z)-2-cyano-3-methyl-hepta-3,5-diene-1,2,6-tricarboxylic acid O1,O2-diethyl ester O6-methyl ester Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C#N)(C(=CC=C(C)C(=O)OC)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(C#N)(/C(=C/C=C(/C)\C(=O)OC)/C)C(=O)OCC

InChI

InChI=1S/C17H23NO6/c1-6-23-14(19)10-17(11-18,16(21)24-7-2)13(4)9-8-12(3)15(20)22-5/h8-9H,6-7,10H2,1-5H3/b12-8-,13-9+