[2-(5-nitrooxypentylcarbamoyl)phenyl] pyridine-3-carboxylate

Systemtic Name: [2-(5-nitrooxypentylcarbamoyl)phenyl] pyridine-3-carboxylate Openeye Name: [2-(5-nitrooxypentylcarbamoyl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(5-nitrooxypentylamino)-oxomethyl]phenyl] ester IUPAC Name: [2-(5-nitrooxypentylcarbamoyl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(5-nitrooxypentylcarbamoyl)phenyl] ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6/c22-17(20-11-4-1-5-12-26-21(24)25)15-8-2-3-9-16(15)27-18(23)14-7-6-10-19-13-14/h2-3,6-10,13H,1,4-5,11-12H2,(H,20,22)