6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid

Systemtic Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid Openeye Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid CAS Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid IUPAC Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid Traditional Name: 6-(2,3-dimethyl-5-nitro-2H-benzimidazol-1-yl)hexanoic acid Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(N1CCCCCC(=O)O)C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1N(C2=C(N1CCCCCC(=O)O)C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H21N3O4/c1-11-16(2)14-10-12(18(21)22)7-8-13(14)17(11)9-5-3-4-6-15(19)20/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,20)