[4-(2-azanylethanoyl)-2-pyridin-3-ylcarbonyloxy-phenyl] pyridine-3-carboxylate hydrochloride

Systemtic Name: [4-(2-azanylethanoyl)-2-pyridin-3-ylcarbonyloxy-phenyl] pyridine-3-carboxylate hydrochloride Openeye Name: [4-(2-aminoacetyl)-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate hydrochloride CAS Name: 3-pyridinecarboxylic acid [4-(2-amino-1-oxoethyl)-2-[oxo(3-pyridinyl)methoxy]phenyl] ester hydrochloride IUPAC Name: [4-(2-aminoacetyl)-2-(pyridine-3-carbonyloxy)phenyl] pyridine-3-carboxylate hydrochloride Traditional Name: nicotinic acid (4-glycyl-2-nicotinoyloxy-phenyl) ester hydrochloride Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O5.ClH/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;/h1-9,11-12H,10,21H2;1H