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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-phenoxybenzoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-phenoxybenzoate CAS Name: 2-phenoxybenzoic 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-phenoxybenzoate Traditional Name: 2-phenoxybenzoic acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H16ClN2O4+ MolecularWeight: 407.82644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C22H15ClN2O4/c23-15-10-11-20-24-16(12-21(26)25(20)13-15)14-28-22(27)18-8-4-5-9-19(18)29-17-6-2-1-3-7-17/h1-13H,14H2/p+1