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

Systemtic Name: methyl 4-acetyloxy-1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: methyl 4-acetoxy-1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 4-acetyloxy-1-oxo-2H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-acetyloxy-1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 4-acetoxy-1-keto-2H-isoquinoline-3-carboxylic acid methyl ester Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(NC(=O)C2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C(NC(=O)C2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C13H11NO5/c1-7(15)19-11-8-5-3-4-6-9(8)12(16)14-10(11)13(17)18-2/h3-6H,1-2H3,(H,14,16)