methyl 2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-isoquinoline-3-carboxylic acid methyl ester Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=CC=C2C1=O)C(=O)OC

Isomeric SMILES

CN1C(=CC2=CC=CC=C2C1=O)C(=O)OC

InChI

InChI=1S/C12H11NO3/c1-13-10(12(15)16-2)7-8-5-3-4-6-9(8)11(13)14/h3-7H,1-2H3