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

Systemtic Name: 2-[[[5-(butylamino)pyridin-3-yl]-(cyanoamino)methylidene]amino]ethyl nitrate Openeye Name: 2-[[[5-(butylamino)-3-pyridyl]-(cyanoamino)methylene]amino]ethyl nitrate CAS Name: nitric acid 2-[[[5-(butylamino)-3-pyridinyl]-(cyanoamino)methylidene]amino]ethyl ester IUPAC Name: 2-[[[5-(butylamino)pyridin-3-yl]-(cyanoamino)methylidene]amino]ethyl nitrate Traditional Name: nitric acid 2-[[[5-(butylamino)-3-pyridyl]-(cyanoamino)methylene]amino]ethyl ester Formula: C13H18N6O3 MolecularWeight: 306.32042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CN=CC(=C1)C(=NCCO[N+](=O)[O-])NC#N

Isomeric SMILES

CCCCNC1=CN=CC(=C1)C(=NCCO[N+](=O)[O-])NC#N

InChI

InChI=1S/C13H18N6O3/c1-2-3-4-16-12-7-11(8-15-9-12)13(18-10-14)17-5-6-22-19(20)21/h7-9,16H,2-6H2,1H3,(H,17,18)