ethyl 1-oxidanylidene-4H-pyrimido[1,2-a]benzimidazol-1-ium-2-carboxylate

Systemtic Name: ethyl 1-oxidanylidene-4H-pyrimido[1,2-a]benzimidazol-1-ium-2-carboxylate Openeye Name: ethyl 1-oxo-4H-pyrimido[1,2-a]benzimidazol-1-ium-2-carboxylate CAS Name: 1-oxo-4H-pyrimido[1,2-a]benzimidazol-1-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-oxo-4H-pyrimido[1,2-a]benzimidazol-1-ium-2-carboxylate Traditional Name: 1-keto-4H-pyrimido[1,2-a]benzimidazol-1-ium-2-carboxylic acid ethyl ester Formula: C13H12N3O3+ MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCN2C3=CC=CC=C3N=C2[N+]1=O

Isomeric SMILES

CCOC(=O)C1=CCN2C3=CC=CC=C3N=C2[N+]1=O

InChI

InChI=1S/C13H12N3O3/c1-2-19-12(17)11-7-8-15-10-6-4-3-5-9(10)14-13(15)16(11)18/h3-7H,2,8H2,1H3/q+1