ethyl 1-chloranyl-4-oxidanyl-isoquinoline-3-carboxylate

Systemtic Name: ethyl 1-chloranyl-4-oxidanyl-isoquinoline-3-carboxylate Openeye Name: ethyl 1-chloro-4-hydroxy-isoquinoline-3-carboxylate CAS Name: 1-chloro-4-hydroxy-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-chloro-4-hydroxyisoquinoline-3-carboxylate Traditional Name: 1-chloro-4-hydroxy-isoquinoline-3-carboxylic acid ethyl ester Formula: C12H10ClNO3 MolecularWeight: 251.6657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

InChI

InChI=1S/C12H10ClNO3/c1-2-17-12(16)9-10(15)7-5-3-4-6-8(7)11(13)14-9/h3-6,15H,2H2,1H3