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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-iodanylbenzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-iodobenzoate CAS Name: 2-iodobenzoic 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 2-iodobenzoate Traditional Name: 2-iodobenzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C16H11ClIN2O3+ MolecularWeight: 441.62761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClIN2O3/c17-10-5-6-14-19-11(7-15(21)20(14)8-10)9-23-16(22)12-3-1-2-4-13(12)18/h1-8H,9H2/p+1