3-nitro-N-[4-(1,2-oxazol-2-ium-2-yl)butyl]-2,5-dihydro-1H-pyrrol-2-amine

Systemtic Name: 3-nitro-N-[4-(1,2-oxazol-2-ium-2-yl)butyl]-2,5-dihydro-1H-pyrrol-2-amine Openeye Name: N-(4-isoxazol-2-ium-2-ylbutyl)-3-nitro-2,5-dihydro-1H-pyrrol-2-amine CAS Name: N-[4-(2-isoxazol-2-iumyl)butyl]-3-nitro-2,5-dihydro-1H-pyrrol-2-amine IUPAC Name: 3-nitro-N-[4-(1,2-oxazol-2-ium-2-yl)butyl]-2,5-dihydro-1H-pyrrol-2-amine Traditional Name: 4-isoxazol-2-ium-2-ylbutyl-(3-nitro-3-pyrrolin-2-yl)amine Formula: C11H17N4O3+ MolecularWeight: 253.27768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(N1)NCCCC[N+]2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

C1C=C(C(N1)NCCCC[N+]2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C11H17N4O3/c16-15(17)10-4-6-13-11(10)12-5-1-2-7-14-8-3-9-18-14/h3-4,8-9,11-13H,1-2,5-7H2/q+1