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

Systemtic Name: methyl 1-cyano-3-methyl-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-cyano-3-methyl-1H-isoquinoline-2-carboxylate CAS Name: 1-cyano-3-methyl-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-cyano-3-methyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-cyano-3-methyl-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(N1C(=O)OC)C#N

Isomeric SMILES

CC1=CC2=CC=CC=C2C(N1C(=O)OC)C#N

InChI

InChI=1S/C13H12N2O2/c1-9-7-10-5-3-4-6-11(10)12(8-14)15(9)13(16)17-2/h3-7,12H,1-2H3