methyl 5-cyano-1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: methyl 5-cyano-1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: methyl 5-cyano-1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 5-cyano-1-oxo-2H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 5-cyano-1-keto-2H-isoquinoline-3-carboxylic acid methyl ester Formula: C12H8N2O3 MolecularWeight: 228.20352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2C(=O)N1)C#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2C(=O)N1)C#N

InChI

InChI=1S/C12H8N2O3/c1-17-12(16)10-5-9-7(6-13)3-2-4-8(9)11(15)14-10/h2-5H,1H3,(H,14,15)