3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-2-methyl-isoquinoline-4-carboxylic acid Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17NO7/c1-21-18(10-4-5-13-16(6-10)28-9-27-13)17(20(23)24)11-7-14(25-2)15(26-3)8-12(11)19(21)22/h4-8H,9H2,1-3H3,(H,23,24)