[3-(5-nitrooxypentylcarbamoyl)phenyl] pyridine-3-carboxylate

Systemtic Name: [3-(5-nitrooxypentylcarbamoyl)phenyl] pyridine-3-carboxylate Openeye Name: [3-(5-nitrooxypentylcarbamoyl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-[(5-nitrooxypentylamino)-oxomethyl]phenyl] ester IUPAC Name: [3-(5-nitrooxypentylcarbamoyl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(5-nitrooxypentylcarbamoyl)phenyl] ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CN=CC=C2)C(=O)NCCCCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CN=CC=C2)C(=O)NCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6/c22-17(20-10-2-1-3-11-26-21(24)25)14-6-4-8-16(12-14)27-18(23)15-7-5-9-19-13-15/h4-9,12-13H,1-3,10-11H2,(H,20,22)