ethyl 7-chloranyl-1-oxidanylidene-2H-isoquinoline-4-carboxylate

Systemtic Name: ethyl 7-chloranyl-1-oxidanylidene-2H-isoquinoline-4-carboxylate Openeye Name: ethyl 7-chloro-1-oxo-2H-isoquinoline-4-carboxylate CAS Name: 7-chloro-1-oxo-2H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-1-oxo-2H-isoquinoline-4-carboxylate Traditional Name: 7-chloro-1-keto-2H-isoquinoline-4-carboxylic acid ethyl ester Formula: C12H10ClNO3 MolecularWeight: 251.6657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=O)C2=C1C=CC(=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CNC(=O)C2=C1C=CC(=C2)Cl

InChI

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