ethyl 4-acetyloxy-1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-acetyloxy-1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: ethyl 4-acetoxy-1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 4-acetyloxy-1-oxo-2H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyloxy-1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 4-acetoxy-1-keto-2H-isoquinoline-3-carboxylic acid ethyl ester Formula: C14H13NO5 MolecularWeight: 275.25672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5/c1-3-19-14(18)11-12(20-8(2)16)9-6-4-5-7-10(9)13(17)15-11/h4-7H,3H2,1-2H3,(H,15,17)