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

Systemtic Name: ethyl 2-[4-(1-oxidanyl-3-oxidanylidene-2H-pyrrolo[3,4-c]pyridin-1-yl)pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-1-yl)pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-(1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-1-yl)-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1-hydroxy-3-oxo-2H-pyrrolo[3,4-c]pyridin-1-yl)pyridin-1-ium-1-yl]acetate 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 Formula: C16H16N3O4+ MolecularWeight: 314.31594

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4/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/p+1