methyl 1-cyano-4-oxidanylidene-3H-quinolizin-5-ium-2-carboxylate

Systemtic Name: methyl 1-cyano-4-oxidanylidene-3H-quinolizin-5-ium-2-carboxylate Openeye Name: methyl 1-cyano-4-oxo-3H-quinolizin-5-ium-2-carboxylate CAS Name: 1-cyano-4-oxo-3H-quinolizin-5-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 1-cyano-4-oxo-3H-quinolizin-5-ium-2-carboxylate Traditional Name: 1-cyano-4-keto-3H-quinolizin-5-ium-2-carboxylic acid methyl ester Formula: C12H9N2O3+ MolecularWeight: 229.21146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=[N+]2C(=O)C1)C#N

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=[N+]2C(=O)C1)C#N

InChI

InChI=1S/C12H9N2O3/c1-17-12(16)8-6-11(15)14-5-3-2-4-10(14)9(8)7-13/h2-5H,6H2,1H3/q+1