methyl 3-(hydroxymethyl)-1-oxidanylidene-2,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: methyl 3-(hydroxymethyl)-1-oxidanylidene-2,4-dihydroisoquinoline-3-carboxylate Openeye Name: methyl 3-(hydroxymethyl)-1-oxo-2,4-dihydroisoquinoline-3-carboxylate CAS Name: 3-(hydroxymethyl)-1-oxo-2,4-dihydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 3-(hydroxymethyl)-1-oxo-2,4-dihydroisoquinoline-3-carboxylate Traditional Name: 1-keto-3-methylol-2,4-dihydroisoquinoline-3-carboxylic acid methyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=CC=CC=C2C(=O)N1)CO

Isomeric SMILES

COC(=O)C1(CC2=CC=CC=C2C(=O)N1)CO

InChI

InChI=1S/C12H13NO4/c1-17-11(16)12(7-14)6-8-4-2-3-5-9(8)10(15)13-12/h2-5,14H,6-7H2,1H3,(H,13,15)