[4-(4-nitrosooxan-4-yl)oxy-4-oxidanylidene-2-(pyridin-3-ylcarbonyloxymethyl)butyl] pyridine-3-carboxylate

Systemtic Name: [4-(4-nitrosooxan-4-yl)oxy-4-oxidanylidene-2-(pyridin-3-ylcarbonyloxymethyl)butyl] pyridine-3-carboxylate Openeye Name: [4-(4-nitrosotetrahydropyran-4-yl)oxy-4-oxo-2-(pyridine-3-carbonyloxymethyl)butyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(4-nitroso-4-oxanyl)oxy]-4-oxo-2-[[oxo(3-pyridinyl)methoxy]methyl]butyl] ester IUPAC Name: [4-(4-nitrosooxan-4-yl)oxy-4-oxo-2-(pyridine-3-carbonyloxymethyl)butyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-keto-2-(nicotinoyloxymethyl)-4-(4-nitrosotetrahydropyran-4-yl)oxy-butyl] ester Formula: C22H23N3O8 MolecularWeight: 457.43332

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(N=O)OC(=O)CC(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3

Isomeric SMILES

C1COCCC1(N=O)OC(=O)CC(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H23N3O8/c26-19(33-22(25-29)5-9-30-10-6-22)11-16(14-31-20(27)17-3-1-7-23-12-17)15-32-21(28)18-4-2-8-24-13-18/h1-4,7-8,12-13,16H,5-6,9-11,14-15H2