2-azanyl-5-[[azanyl(nitramido)methylidene]amino]-N-(4-nitrophenyl)pentanamide hydrobromide

Systemtic Name: 2-azanyl-5-[[azanyl(nitramido)methylidene]amino]-N-(4-nitrophenyl)pentanamide hydrobromide Openeye Name: 2-amino-5-[[amino(nitramido)methylene]amino]-N-(4-nitrophenyl)pentanamide hydrobromide CAS Name: 2-amino-5-[[amino(nitramido)methylidene]amino]-N-(4-nitrophenyl)pentanamide hydrobromide IUPAC Name: 2-amino-5-[[amino(nitramido)methylidene]amino]-N-(4-nitrophenyl)pentanamide hydrobromide Traditional Name: 2-amino-5-[[amino(nitramido)methylene]amino]-N-(4-nitrophenyl)valeramide hydrobromide Formula: C12H18BrN7O5 MolecularWeight: 420.21922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N[N+](=O)[O-])N)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N[N+](=O)[O-])N)[N+](=O)[O-].Br

InChI

InChI=1S/C12H17N7O5.BrH/c13-10(2-1-7-15-12(14)17-19(23)24)11(20)16-8-3-5-9(6-4-8)18(21)22;/h3-6,10H,1-2,7,13H2,(H,16,20)(H3,14,15,17);1H