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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=CNC2=O)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=CNC2=O)Cl

InChI

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