2-[[6-[[5-(2-nitrooxyethylcarbamoyl)pyridin-2-yl]disulfanyl]pyridin-3-yl]carbonylamino]ethyl nitrate

Systemtic Name: 2-[[6-[[5-(2-nitrooxyethylcarbamoyl)pyridin-2-yl]disulfanyl]pyridin-3-yl]carbonylamino]ethyl nitrate Openeye Name: 2-[[6-[[5-(2-nitrooxyethylcarbamoyl)-2-pyridyl]disulfanyl]pyridine-3-carbonyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[[6-[[5-[(2-nitrooxyethylamino)-oxomethyl]-2-pyridinyl]disulfanyl]-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[6-[[5-(2-nitrooxyethylcarbamoyl)pyridin-2-yl]disulfanyl]pyridine-3-carbonyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[[6-[[5-(2-nitrooxyethylcarbamoyl)-2-pyridyl]disulfanyl]nicotinoyl]amino]ethyl ester Formula: C16H16N6O8S2 MolecularWeight: 484.46364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(=O)NCCO[N+](=O)[O-])SSC2=NC=C(C=C2)C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1C(=O)NCCO[N+](=O)[O-])SSC2=NC=C(C=C2)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O8S2/c23-15(17-5-7-29-21(25)26)11-1-3-13(19-9-11)31-32-14-4-2-12(10-20-14)16(24)18-6-8-30-22(27)28/h1-4,9-10H,5-8H2,(H,17,23)(H,18,24)