ethyl 1-chloranylisoquinoline-4-carboxylate

Systemtic Name: ethyl 1-chloranylisoquinoline-4-carboxylate Openeye Name: ethyl 1-chloroisoquinoline-4-carboxylate CAS Name: 1-chloro-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-chloroisoquinoline-4-carboxylate Traditional Name: 1-chloroisoquinoline-4-carboxylic acid ethyl ester Formula: C12H10ClNO2 MolecularWeight: 235.6663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC=CC=C21)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC=CC=C21)Cl

InChI

InChI=1S/C12H10ClNO2/c1-2-16-12(15)10-7-14-11(13)9-6-4-3-5-8(9)10/h3-7H,2H2,1H3