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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1C(=CCN1)[N+](=O)[O-])[N+]2=CC=CO2

Isomeric SMILES

CCC(CNC1C(=CCN1)[N+](=O)[O-])[N+]2=CC=CO2

InChI

InChI=1S/C11H17N4O3/c1-2-9(14-6-3-7-18-14)8-13-11-10(15(16)17)4-5-12-11/h3-4,6-7,9,11-13H,2,5,8H2,1H3/q+1