(6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C18H12ClN3O3 MolecularWeight: 353.75918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=CN4C=C(C=CC4=N3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=CN4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C18H12ClN3O3/c19-12-5-6-16-20-13(9-22(16)8-12)10-25-18(24)15-7-11-3-1-2-4-14(11)17(23)21-15/h1-9H,10H2,(H,21,23)