2-methyl-3-(4-nitroimidazol-1-yl)propanoic acid

Systemtic Name: 2-methyl-3-(4-nitroimidazol-1-yl)propanoic acid Openeye Name: 2-methyl-3-(4-nitroimidazol-1-yl)propanoic acid CAS Name: 2-methyl-3-(4-nitro-1-imidazolyl)propanoic acid IUPAC Name: 2-methyl-3-(4-nitroimidazol-1-yl)propanoic acid Traditional Name: 2-methyl-3-(4-nitroimidazol-1-yl)propionic acid Formula: C7H9N3O4 MolecularWeight: 199.16406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(CN1C=C(N=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H9N3O4/c1-5(7(11)12)2-9-3-6(8-4-9)10(13)14/h3-5H,2H2,1H3,(H,11,12)