ethyl 2-ethanoyl-5-oxidanyl-1H-isoquinoline-1-carboxylate

Systemtic Name: ethyl 2-ethanoyl-5-oxidanyl-1H-isoquinoline-1-carboxylate Openeye Name: ethyl 2-acetyl-5-hydroxy-1H-isoquinoline-1-carboxylate CAS Name: 2-acetyl-5-hydroxy-1H-isoquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-5-hydroxy-1H-isoquinoline-1-carboxylate Traditional Name: 2-acetyl-5-hydroxy-1H-isoquinoline-1-carboxylic acid ethyl ester Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(C=CN1C(=O)C)C(=CC=C2)O

Isomeric SMILES

CCOC(=O)C1C2=C(C=CN1C(=O)C)C(=CC=C2)O

InChI

InChI=1S/C14H15NO4/c1-3-19-14(18)13-11-5-4-6-12(17)10(11)7-8-15(13)9(2)16/h4-8,13,17H,3H2,1-2H3