2-[[(cyanoamino)-pyridin-3-yl-methylidene]amino]ethyl nitrate; methanesulfonate

Systemtic Name: 2-[[(cyanoamino)-pyridin-3-yl-methylidene]amino]ethyl nitrate; methanesulfonate Openeye Name: 2-[[(cyanoamino)-(3-pyridyl)methylene]amino]ethyl nitrate; methanesulfonate CAS Name: methanesulfonate; nitric acid 2-[[(cyanoamino)-(3-pyridinyl)methylidene]amino]ethyl ester IUPAC Name: 2-[[(cyanoamino)-pyridin-3-ylmethylidene]amino]ethyl nitrate; methanesulfonate Traditional Name: nitric acid 2-[[(cyanoamino)-(3-pyridyl)methylene]amino]ethyl ester mesylate Formula: C10H12N5O6S- MolecularWeight: 330.29718

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CN=C1)C(=NCCO[N+](=O)[O-])NC#N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CN=C1)C(=NCCO[N+](=O)[O-])NC#N

InChI

InChI=1S/C9H9N5O3.CH4O3S/c10-7-13-9(8-2-1-3-11-6-8)12-4-5-17-14(15)16;1-5(2,3)4/h1-3,6H,4-5H2,(H,12,13);1H3,(H,2,3,4)/p-1