6,7-dimethoxy-1-oxidanylidene-2H-isoquinoline-3-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-oxidanylidene-2H-isoquinoline-3-carboxylic acid Openeye Name: 6,7-dimethoxy-1-oxo-2H-isoquinoline-3-carboxylic acid CAS Name: 6,7-dimethoxy-1-oxo-2H-isoquinoline-3-carboxylic acid IUPAC Name: 6,7-dimethoxy-1-oxo-2H-isoquinoline-3-carboxylic acid Traditional Name: 1-keto-6,7-dimethoxy-2H-isoquinoline-3-carboxylic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(NC2=O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(NC2=O)C(=O)O)OC

InChI

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