4-methoxy-1-methylperoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 4-methoxy-1-methylperoxy-isoquinoline-3-carboxylic acid Openeye Name: 4-methoxy-1-methylperoxy-isoquinoline-3-carboxylic acid CAS Name: 4-methoxy-1-methyldioxy-3-isoquinolinecarboxylic acid IUPAC Name: 4-methoxy-1-methylperoxyisoquinoline-3-carboxylic acid Traditional Name: 4-methoxy-1-methylperoxy-isoquinoline-3-carboxylic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(C2=CC=CC=C21)OOC)C(=O)O

Isomeric SMILES

COC1=C(N=C(C2=CC=CC=C21)OOC)C(=O)O

InChI

InChI=1S/C12H11NO5/c1-16-10-7-5-3-4-6-8(7)11(18-17-2)13-9(10)12(14)15/h3-6H,1-2H3,(H,14,15)