diethyl 4-[2,6-bis(chloranyl)phenyl]-4-cyano-heptanedioate

Systemtic Name: diethyl 4-[2,6-bis(chloranyl)phenyl]-4-cyano-heptanedioate Openeye Name: diethyl 4-cyano-4-(2,6-dichlorophenyl)heptanedioate CAS Name: 4-cyano-4-(2,6-dichlorophenyl)heptanedioic acid diethyl ester IUPAC Name: diethyl 4-cyano-4-(2,6-dichlorophenyl)heptanedioate Traditional Name: 4-cyano-4-(2,6-dichlorophenyl)pimelic acid diethyl ester Formula: C18H21Cl2NO4 MolecularWeight: 386.26964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CCC(=O)OCC)(C#N)C1=C(C=CC=C1Cl)Cl

Isomeric SMILES

CCOC(=O)CCC(CCC(=O)OCC)(C#N)C1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C18H21Cl2NO4/c1-3-24-15(22)8-10-18(12-21,11-9-16(23)25-4-2)17-13(19)6-5-7-14(17)20/h5-7H,3-4,8-11H2,1-2H3