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3-(2-nitroimidazol-1-yl)propanoic acid

3-(2-nitroimidazol-1-yl)propanoic acid

Systemtic Name:3-(2-nitroimidazol-1-yl)propanoic acid
Openeye Name:3-(2-nitroimidazol-1-yl)propanoic acid
CAS Name:3-(2-nitro-1-imidazolyl)propanoic acid
IUPAC Name:3-(2-nitroimidazol-1-yl)propanoic acid
Traditional Name:3-(2-nitroimidazol-1-yl)propionic acid
Formula: C6H7N3O4
MolecularWeight: 185.13748
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)[N+](=O)[O-])CCC(=O)O


Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])CCC(=O)O


InChI

InChI=1S/C6H7N3O4/c10-5(11)1-3-8-4-2-7-6(8)9(12)13/h2,4H,1,3H2,(H,10,11)


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