methyl 1-methyl-7-oxidanyl-6-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylate

Systemtic Name: methyl 1-methyl-7-oxidanyl-6-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylate Openeye Name: methyl 7-hydroxy-1-methyl-6-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate CAS Name: 7-hydroxy-1-methyl-6-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7-hydroxy-1-methyl-6-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylate Traditional Name: 7-hydroxy-6-keto-1-methyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid methyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)C=C2CC(N1)C(=O)OC)O

Isomeric SMILES

CC1=C2C=C(C(=O)C=C2CC(N1)C(=O)OC)O

InChI

InChI=1S/C12H13NO4/c1-6-8-5-11(15)10(14)4-7(8)3-9(13-6)12(16)17-2/h4-5,9,13,15H,3H2,1-2H3