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

Systemtic Name: 3-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoic acid Openeye Name: 3-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoic acid CAS Name: 3-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoic acid Traditional Name: 3-[3-(4-nitroimidazol-1-yl)propanoylamino]propionic acid Formula: C9H12N4O5 MolecularWeight: 256.21538

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=CN1CCC(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(N=CN1CCC(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O5/c14-8(10-3-1-9(15)16)2-4-12-5-7(11-6-12)13(17)18/h5-6H,1-4H2,(H,10,14)(H,15,16)