2-[[(2-methyl-1-phenyl-benzimidazol-5-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2-methyl-1-phenyl-benzimidazol-5-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(2-methyl-1-phenyl-benzimidazole-5-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2-methyl-1-phenyl-5-benzimidazolyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(2-methyl-1-phenyl-benzimidazole-5-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C22H17N4O4- MolecularWeight: 401.39478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H18N4O4/c1-14-24-19-12-15(7-9-20(19)25(14)17-5-3-2-4-6-17)22(28)23-13-16-11-18(26(29)30)8-10-21(16)27/h2-12,27H,13H2,1H3,(H,23,28)/p-1