methyl 2-(8-fluoranyl-4-oxidanylidene-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)ethanoate

Systemtic Name: methyl 2-(8-fluoranyl-4-oxidanylidene-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)ethanoate Openeye Name: methyl 2-(8-fluoro-4-oxo-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)acetate CAS Name: 2-(8-fluoro-4-oxo-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(8-fluoro-4-oxo-1,5-dihydropyrimido[5,4-b]indol-3-ium-3-yl)acetate Traditional Name: 2-(8-fluoro-4-keto-1,5-dihydropyrimid[5,4-b]indol-3-ium-3-yl)acetic acid methyl ester Formula: C13H11FN3O3+ MolecularWeight: 276.243143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CNC2=C(C1=O)NC3=C2C=C(C=C3)F

Isomeric SMILES

COC(=O)C[N+]1=CNC2=C(C1=O)NC3=C2C=C(C=C3)F

InChI

InChI=1S/C13H10FN3O3/c1-20-10(18)5-17-6-15-11-8-4-7(14)2-3-9(8)16-12(11)13(17)19/h2-4,6H,5H2,1H3,(H,16,19)/p+1