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

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]ethanoic acid Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]acetic acid CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]acetic acid IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylamino]acetic acid Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]acetic acid Formula: C8H12N4O4 MolecularWeight: 228.20528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H12N4O4/c1-6-10-4-7(12(15)16)11(6)3-2-9-5-8(13)14/h4,9H,2-3,5H2,1H3,(H,13,14)