2,2,2-tris(chloranyl)ethyl 1-cyano-1H-isoquinoline-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 1-cyano-1H-isoquinoline-2-carboxylate Openeye Name: 2,2,2-trichloroethyl 1-cyano-1H-isoquinoline-2-carboxylate CAS Name: 1-cyano-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 1-cyano-1H-isoquinoline-2-carboxylate Traditional Name: 1-cyano-1H-isoquinoline-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C13H9Cl3N2O2 MolecularWeight: 331.58176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)OCC(Cl)(Cl)Cl)C#N

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C(=O)OCC(Cl)(Cl)Cl)C#N

InChI

InChI=1S/C13H9Cl3N2O2/c14-13(15,16)8-20-12(19)18-6-5-9-3-1-2-4-10(9)11(18)7-17/h1-6,11H,8H2