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

Systemtic Name: ethyl 2-(1-oxidanyl-3-oxidanylidene-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)propanoate bromide Openeye Name: ethyl 2-(1-hydroxy-3-oxo-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)propanoate bromide CAS Name: 2-(1-hydroxy-3-oxo-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)propanoic acid ethyl ester bromide IUPAC Name: ethyl 2-(1-hydroxy-3-oxo-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)propanoate bromide Traditional Name: 2-(1-hydroxy-3-keto-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-5-yl)propionic acid ethyl ester bromide Formula: C18H19BrN2O4 MolecularWeight: 407.25846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)[N+]1=CC2=C(C=C1)C(NC2=O)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

CCOC(=O)C(C)[N+]1=CC2=C(C=C1)C(NC2=O)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C18H18N2O4.BrH/c1-3-24-17(22)12(2)20-10-9-15-14(11-20)16(21)19-18(15,23)13-7-5-4-6-8-13;/h4-12,23H,3H2,1-2H3;1H