2-[4-[(2-ethyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-ethyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-ethyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-ethyl-4-nitro-1-benzimidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-ethyl-4-nitrobenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-ethyl-4-nitro-benzimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O4/c1-2-21-24-22-19(8-5-9-20(22)26(29)30)25(21)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)23(27)28/h3-13H,2,14H2,1H3,(H,27,28)