O7-ethyl O1-methyl (2Z,4E)-6-cyano-2,5-dimethyl-6-[(4-nitrophenyl)methyl]hepta-2,4-dienedioate

Systemtic Name: O7-ethyl O1-methyl (2Z,4E)-6-cyano-2,5-dimethyl-6-[(4-nitrophenyl)methyl]hepta-2,4-dienedioate Openeye Name: O7-ethyl O1-methyl (2Z,4E)-6-cyano-2,5-dimethyl-6-[(4-nitrophenyl)methyl]hepta-2,4-dienedioate CAS Name: (2Z,4E)-6-cyano-2,5-dimethyl-6-[(4-nitrophenyl)methyl]hepta-2,4-dienedioic acid O7-ethyl ester O1-methyl ester IUPAC Name: 7-O-ethyl 1-O-methyl (2Z,4E)-6-cyano-2,5-dimethyl-6-[(4-nitrophenyl)methyl]hepta-2,4-dienedioate Traditional Name: (2Z,4E)-6-cyano-2,5-dimethyl-6-(4-nitrobenzyl)hepta-2,4-dienedioic acid O7-ethyl ester O1-methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(C#N)C(=CC=C(C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(C#N)/C(=C/C=C(/C)\C(=O)OC)/C

InChI

InChI=1S/C20H22N2O6/c1-5-28-19(24)20(13-21,15(3)7-6-14(2)18(23)27-4)12-16-8-10-17(11-9-16)22(25)26/h6-11H,5,12H2,1-4H3/b14-6-,15-7+