2-[3-(4-nitroimidazol-1-yl)propanoylamino]hexanoic acid

Systemtic Name: 2-[3-(4-nitroimidazol-1-yl)propanoylamino]hexanoic acid Openeye Name: 2-[3-(4-nitroimidazol-1-yl)propanoylamino]hexanoic acid CAS Name: 2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[3-(4-nitroimidazol-1-yl)propanoylamino]hexanoic acid Traditional Name: 2-[3-(4-nitroimidazol-1-yl)propanoylamino]hexanoic acid Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O5/c1-2-3-4-9(12(18)19)14-11(17)5-6-15-7-10(13-8-15)16(20)21/h7-9H,2-6H2,1H3,(H,14,17)(H,18,19)