dimethyl 4-[2,3-bis(chloranyl)phenyl]-4-cyano-heptanedioate

Systemtic Name: dimethyl 4-[2,3-bis(chloranyl)phenyl]-4-cyano-heptanedioate Openeye Name: dimethyl 4-cyano-4-(2,3-dichlorophenyl)heptanedioate CAS Name: 4-cyano-4-(2,3-dichlorophenyl)heptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-cyano-4-(2,3-dichlorophenyl)heptanedioate Traditional Name: 4-cyano-4-(2,3-dichlorophenyl)pimelic acid dimethyl ester Formula: C16H17Cl2NO4 MolecularWeight: 358.21648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)OC)(C#N)C1=C(C(=CC=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCC(CCC(=O)OC)(C#N)C1=C(C(=CC=C1)Cl)Cl

InChI

InChI=1S/C16H17Cl2NO4/c1-22-13(20)6-8-16(10-19,9-7-14(21)23-2)11-4-3-5-12(17)15(11)18/h3-5H,6-9H2,1-2H3