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

Systemtic Name: 2-[4-[[2-(ethoxymethyl)-4-nitro-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-(ethoxymethyl)-4-nitro-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-(ethoxymethyl)-4-nitro-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-(ethoxymethyl)-4-nitrobenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-(ethoxymethyl)-4-nitro-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5/c1-2-32-15-22-25-23-20(8-5-9-21(23)27(30)31)26(22)14-16-10-12-17(13-11-16)18-6-3-4-7-19(18)24(28)29/h3-13H,2,14-15H2,1H3,(H,28,29)