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2-ethanoyl-1-methyl-6,7-bis(oxidanyl)-3,4-dihydroisoquinoline-1-carboxylic acid

2-ethanoyl-1-methyl-6,7-bis(oxidanyl)-3,4-dihydroisoquinoline-1-carboxylic acid

Systemtic Name:2-ethanoyl-1-methyl-6,7-bis(oxidanyl)-3,4-dihydroisoquinoline-1-carboxylic acid
Openeye Name:2-acetyl-6,7-dihydroxy-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid
CAS Name:2-acetyl-6,7-dihydroxy-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid
IUPAC Name:2-acetyl-6,7-dihydroxy-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid
Traditional Name:2-acetyl-6,7-dihydroxy-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid
Formula: C13H15NO5
MolecularWeight: 265.2619
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C1(C)C(=O)O)O)O


Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C1(C)C(=O)O)O)O


InChI

InChI=1S/C13H15NO5/c1-7(15)14-4-3-8-5-10(16)11(17)6-9(8)13(14,2)12(18)19/h5-6,16-17H,3-4H2,1-2H3,(H,18,19)


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