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

Systemtic Name: 2-[(1-oxidanyl-3-oxidanylidene-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl ethanoate Openeye Name: 2-[(1-hydroxy-3-oxo-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[(1-hydroxy-3-oxo-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl ester IUPAC Name: 2-[(1-hydroxy-3-oxo-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[(1-hydroxy-3-keto-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)methoxy]ethyl ester Formula: C18H19N2O5+ MolecularWeight: 343.35386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC[N+]1=CC2=C(C=C1)C(NC2=O)(C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)OCCOC[N+]1=CC2=C(C=C1)C(NC2=O)(C3=CC=CC=C3)O

InChI

InChI=1S/C18H18N2O5/c1-13(21)25-10-9-24-12-20-8-7-16-15(11-20)17(22)19-18(16,23)14-5-3-2-4-6-14/h2-8,11,23H,9-10,12H2,1H3/p+1