2-[[(cyanoamino)-[5-(propan-2-ylamino)pyridin-3-yl]methylidene]amino]ethyl nitrate

Systemtic Name: 2-[[(cyanoamino)-[5-(propan-2-ylamino)pyridin-3-yl]methylidene]amino]ethyl nitrate Openeye Name: 2-[[(cyanoamino)-[5-(isopropylamino)-3-pyridyl]methylene]amino]ethyl nitrate CAS Name: nitric acid 2-[[(cyanoamino)-[5-(propan-2-ylamino)-3-pyridinyl]methylidene]amino]ethyl ester IUPAC Name: 2-[[(cyanoamino)-[5-(propan-2-ylamino)pyridin-3-yl]methylidene]amino]ethyl nitrate Traditional Name: nitric acid 2-[[(cyanoamino)-[5-(isopropylamino)-3-pyridyl]methylene]amino]ethyl ester Formula: C12H16N6O3 MolecularWeight: 292.29384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CN=CC(=C1)C(=NCCO[N+](=O)[O-])NC#N

Isomeric SMILES

CC(C)NC1=CN=CC(=C1)C(=NCCO[N+](=O)[O-])NC#N

InChI

InChI=1S/C12H16N6O3/c1-9(2)17-11-5-10(6-14-7-11)12(16-8-13)15-3-4-21-18(19)20/h5-7,9,17H,3-4H2,1-2H3,(H,15,16)