[4-(2-chloranyl-1-oxidanyl-ethyl)-2-pyridin-3-ylcarbonyloxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [4-(2-chloranyl-1-oxidanyl-ethyl)-2-pyridin-3-ylcarbonyloxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-(2-chloro-1-hydroxy-ethyl)-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-(2-chloro-1-hydroxyethyl)-2-[oxo(3-pyridinyl)methoxy]phenyl] ester IUPAC Name: [4-(2-chloro-1-hydroxyethyl)-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-(2-chloro-1-hydroxy-ethyl)-2-nicotinoyloxy-phenyl] ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC2=C(C=C(C=C2)C(CCl)O)OC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC2=C(C=C(C=C2)C(CCl)O)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H15ClN2O5/c21-10-16(24)13-5-6-17(27-19(25)14-3-1-7-22-11-14)18(9-13)28-20(26)15-4-2-8-23-12-15/h1-9,11-12,16,24H,10H2