(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenoxypyridine-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenoxypyridine-3-carboxylate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenoxypyridine-3-carboxylate CAS Name: 2-phenoxy-3-pyridinecarboxylic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenoxypyridine-3-carboxylate Traditional Name: 2-phenoxynicotinic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C21H14ClN3O4/c22-14-8-9-18-24-15(11-19(26)25(18)12-14)13-28-21(27)17-7-4-10-23-20(17)29-16-5-2-1-3-6-16/h1-12H,13H2