3-[[1-[[3,5-bis(chloranyl)phenyl]methyl]-2-(4-nitrophenyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[[3,5-bis(chloranyl)phenyl]methyl]-2-(4-nitrophenyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[(3,5-dichlorophenyl)methyl]-2-(4-nitrophenyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[(3,5-dichlorophenyl)methyl]-2-(4-nitrophenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(3,5-dichlorophenyl)methyl]-2-(4-nitrophenyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(3,5-dichlorobenzyl)-2-(4-nitrophenyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C24H18Cl2N4O5 MolecularWeight: 513.32952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CC4=CC(=CC(=C4)Cl)Cl)C=CC(=C3)C(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CC4=CC(=CC(=C4)Cl)Cl)C=CC(=C3)C(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H18Cl2N4O5/c25-17-9-14(10-18(26)12-17)13-29-21-6-3-16(24(33)27-8-7-22(31)32)11-20(21)28-23(29)15-1-4-19(5-2-15)30(34)35/h1-6,9-12H,7-8,13H2,(H,27,33)(H,31,32)