methyl 6,7-dimethyl-1-oxidanylidene-2H-isoquinoline-4-carboxylate

Systemtic Name: methyl 6,7-dimethyl-1-oxidanylidene-2H-isoquinoline-4-carboxylate Openeye Name: methyl 6,7-dimethyl-1-oxo-2H-isoquinoline-4-carboxylate CAS Name: 6,7-dimethyl-1-oxo-2H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 6,7-dimethyl-1-oxo-2H-isoquinoline-4-carboxylate Traditional Name: 1-keto-6,7-dimethyl-2H-isoquinoline-4-carboxylic acid methyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CNC2=O)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CNC2=O)C(=O)OC)C

InChI

InChI=1S/C13H13NO3/c1-7-4-9-10(5-8(7)2)12(15)14-6-11(9)13(16)17-3/h4-6H,1-3H3,(H,14,15)