1,2-dimethoxy-1-methyl-pyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylate

Systemtic Name: 1,2-dimethoxy-1-methyl-pyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylate Openeye Name: 1,2-dimethoxy-1-methyl-pyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylate CAS Name: 1,2-dimethoxy-1-methylpyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylate IUPAC Name: 1,2-dimethoxy-1-methylpyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylate Traditional Name: 1,2-dimethoxy-1-methyl-pyrrolo[2,3-b]pyridin-1-ium-5,6-dicarboxylate Formula: C12H11N2O6- MolecularWeight: 279.22554

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=CC2=CC(=C(N=C21)C(=O)[O-])C(=O)[O-])OC)OC

Isomeric SMILES

C[N+]1(C(=CC2=CC(=C(N=C21)C(=O)[O-])C(=O)[O-])OC)OC

InChI

InChI=1S/C12H12N2O6/c1-14(20-3)8(19-2)5-6-4-7(11(15)16)9(12(17)18)13-10(6)14/h4-5H,1-3H3,(H-,15,16,17,18)/p-1