2-[(6-azanyl-4-oxidanylidene-5,6-dihydro-3aH-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl 4-nitrooxybutanoate

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-5,6-dihydro-3aH-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl 4-nitrooxybutanoate Openeye Name: 2-[(6-amino-4-oxo-5,6-dihydro-3aH-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid 2-[(6-amino-4-oxo-5,6-dihydro-3aH-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl ester IUPAC Name: 2-[(6-amino-4-oxo-5,6-dihydro-3aH-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid 2-[(6-amino-4-keto-5,6-dihydro-3aH-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl ester Formula: C13H19N5O7 MolecularWeight: 357.31926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(C(=O)NC1N)N=CN2COCCOC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

C1=C2C(C(=O)NC1N)N=CN2COCCOC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O7/c14-10-6-9-12(13(20)16-10)15-7-17(9)8-23-4-5-24-11(19)2-1-3-25-18(21)22/h6-7,10,12H,1-5,8,14H2,(H,16,20)