(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-cyanobenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-cyanobenzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C17H11ClN3O3+ MolecularWeight: 340.74054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl)C#N

InChI

InChI=1S/C17H10ClN3O3/c18-13-4-5-15-20-14(7-16(22)21(15)9-13)10-24-17(23)12-3-1-2-11(6-12)8-19/h1-7,9H,10H2/p+1