3-(1-methyl-5-nitro-benzimidazol-2-yl)propanoic acid

Systemtic Name: 3-(1-methyl-5-nitro-benzimidazol-2-yl)propanoic acid Openeye Name: 3-(1-methyl-5-nitro-benzimidazol-2-yl)propanoic acid CAS Name: 3-(1-methyl-5-nitro-2-benzimidazolyl)propanoic acid IUPAC Name: 3-(1-methyl-5-nitrobenzimidazol-2-yl)propanoic acid Traditional Name: 3-(1-methyl-5-nitro-benzimidazol-2-yl)propionic acid Formula: C11H11N3O4 MolecularWeight: 249.22274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCC(=O)O

InChI

InChI=1S/C11H11N3O4/c1-13-9-3-2-7(14(17)18)6-8(9)12-10(13)4-5-11(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)