4-(1-methyl-5-nitro-benzimidazol-2-yl)butanoic acid

Systemtic Name: 4-(1-methyl-5-nitro-benzimidazol-2-yl)butanoic acid Openeye Name: 4-(1-methyl-5-nitro-benzimidazol-2-yl)butanoic acid CAS Name: 4-(1-methyl-5-nitro-2-benzimidazolyl)butanoic acid IUPAC Name: 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoic acid Traditional Name: 4-(1-methyl-5-nitro-benzimidazol-2-yl)butyric acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCCC(=O)O

InChI

InChI=1S/C12H13N3O4/c1-14-10-6-5-8(15(18)19)7-9(10)13-11(14)3-2-4-12(16)17/h5-7H,2-4H2,1H3,(H,16,17)