3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]propanoic acid

Systemtic Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]propanoic acid Openeye Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]propanoic acid CAS Name: 3-[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]propanoic acid IUPAC Name: 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylamino]propanoic acid Traditional Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]propionic acid Formula: C9H14N4O4 MolecularWeight: 242.23186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H14N4O4/c1-7-11-6-8(13(16)17)12(7)5-4-10-3-2-9(14)15/h6,10H,2-5H2,1H3,(H,14,15)