[3-(2-nitrooxyethylcarbamoyl)phenyl] pyridine-3-carboxylate

Systemtic Name: [3-(2-nitrooxyethylcarbamoyl)phenyl] pyridine-3-carboxylate Openeye Name: [3-(2-nitrooxyethylcarbamoyl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-[(2-nitrooxyethylamino)-oxomethyl]phenyl] ester IUPAC Name: [3-(2-nitrooxyethylcarbamoyl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(2-nitrooxyethylcarbamoyl)phenyl] ester Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6/c19-14(17-7-8-23-18(21)22)11-3-1-5-13(9-11)24-15(20)12-4-2-6-16-10-12/h1-6,9-10H,7-8H2,(H,17,19)