methyl 2-(4-cyano-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)ethanoate

Systemtic Name: methyl 2-(4-cyano-1-oxidanylidene-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)ethanoate Openeye Name: methyl 2-(4-cyano-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)acetate CAS Name: 2-(4-cyano-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(4-cyano-1-oxo-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)acetate Traditional Name: 2-(4-cyano-1-keto-5,5a-dihydropyrido[1,2-a]benzimidazol-10-ium-3-yl)acetic acid methyl ester Formula: C15H12N3O3+ MolecularWeight: 282.27408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)[N+]2=C3C=CC=CC3NC2=C1C#N

Isomeric SMILES

COC(=O)CC1=CC(=O)[N+]2=C3C=CC=CC3NC2=C1C#N

InChI

InChI=1S/C15H11N3O3/c1-21-14(20)7-9-6-13(19)18-12-5-3-2-4-11(12)17-15(18)10(9)8-16/h2-6,11H,7H2,1H3/p+1