2-ethanoyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-ethanoyl-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-acetyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-acetyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-acetyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-acetyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)O

Isomeric SMILES

CC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)O

InChI

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