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

Systemtic Name: ethyl 2-[4-(1-oxidanyl-3-oxidanylidene-2H-pyrrolo[3,4-c]pyridin-1-yl)pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[4-(1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-1-yl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[4-(1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-1-yl)-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[4-(1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-1-yl)pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[4-(1-hydroxy-3-keto-2H-pyrrolo[3,4-c]pyridin-1-yl)pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=C(C=C1)C2(C3=C(C=NC=C3)C(=O)N2)O.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=C(C=C1)C2(C3=C(C=NC=C3)C(=O)N2)O.[Br-]

InChI

InChI=1S/C16H15N3O4.BrH/c1-2-23-14(20)10-19-7-4-11(5-8-19)16(22)13-3-6-17-9-12(13)15(21)18-16;/h3-9,22H,2,10H2,1H3;1H