2-[[[2-methyl-1-(phenylmethyl)benzimidazol-5-yl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[2-methyl-1-(phenylmethyl)benzimidazol-5-yl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(1-benzyl-2-methyl-benzimidazol-5-yl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-methyl-1-(phenylmethyl)-5-benzimidazolyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(1-benzyl-2-methylbenzimidazol-5-yl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(1-benzyl-2-methyl-benzimidazol-5-yl)amino]methyl]-4-nitro-phenolate Formula: C22H19N4O3- MolecularWeight: 387.41126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H20N4O3/c1-15-24-20-12-18(23-13-17-11-19(26(28)29)8-10-22(17)27)7-9-21(20)25(15)14-16-5-3-2-4-6-16/h2-12,23,27H,13-14H2,1H3/p-1