O7-ethyl O1-methyl (2Z,4E)-6-[(3-bromophenyl)methyl]-6-cyano-2,5-dimethyl-hepta-2,4-dienedioate

Systemtic Name: O7-ethyl O1-methyl (2Z,4E)-6-[(3-bromophenyl)methyl]-6-cyano-2,5-dimethyl-hepta-2,4-dienedioate Openeye Name: O7-ethyl O1-methyl (2Z,4E)-6-[(3-bromophenyl)methyl]-6-cyano-2,5-dimethyl-hepta-2,4-dienedioate CAS Name: (2Z,4E)-6-[(3-bromophenyl)methyl]-6-cyano-2,5-dimethylhepta-2,4-dienedioic acid O7-ethyl ester O1-methyl ester IUPAC Name: 7-O-ethyl 1-O-methyl (2Z,4E)-6-[(3-bromophenyl)methyl]-6-cyano-2,5-dimethylhepta-2,4-dienedioate Traditional Name: (2Z,4E)-6-(3-bromobenzyl)-6-cyano-2,5-dimethyl-hepta-2,4-dienedioic acid O7-ethyl ester O1-methyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC=C1)Br)(C#N)C(=CC=C(C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC=C1)Br)(C#N)/C(=C/C=C(/C)\C(=O)OC)/C

InChI

InChI=1S/C20H22BrNO4/c1-5-26-19(24)20(13-22,12-16-7-6-8-17(21)11-16)15(3)10-9-14(2)18(23)25-4/h6-11H,5,12H2,1-4H3/b14-9-,15-10+