ethyl 2-[1-(1,3-benzodioxol-5-yl)-1-oxidanyl-3-oxidanylidene-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]ethanoate

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-1-oxidanyl-3-oxidanylidene-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]ethanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-1-hydroxy-3-keto-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl]acetic acid ethyl ester Formula: C18H17N2O6+ MolecularWeight: 357.33738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC2=C(C=C1)C(NC2=O)(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCOC(=O)C[N+]1=CC2=C(C=C1)C(NC2=O)(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C18H16N2O6/c1-2-24-16(21)9-20-6-5-13-12(8-20)17(22)19-18(13,23)11-3-4-14-15(7-11)26-10-25-14/h3-8,23H,2,9-10H2,1H3/p+1