N-[5-[2-methyl-1,3-bis(oxidanyl)propyl]-2-nitro-phenyl]-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide

Systemtic Name: N-[5-[2-methyl-1,3-bis(oxidanyl)propyl]-2-nitro-phenyl]-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide Openeye Name: N-[5-(1,3-dihydroxy-2-methyl-propyl)-2-nitro-phenyl]-2-(2-pyridyl)-1H-benzimidazole-4-carboxamide CAS Name: N-[5-(1,3-dihydroxy-2-methylpropyl)-2-nitrophenyl]-2-(2-pyridinyl)-1H-benzimidazole-4-carboxamide IUPAC Name: N-[5-(1,3-dihydroxy-2-methylpropyl)-2-nitrophenyl]-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide Traditional Name: N-[5-(1,3-dihydroxy-2-methyl-propyl)-2-nitro-phenyl]-2-(2-pyridyl)-1H-benzimidazole-4-carboxamide Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC=CC=N4)O

Isomeric SMILES

CC(CO)C(C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC=CC=N4)O

InChI

InChI=1S/C23H21N5O5/c1-13(12-29)21(30)14-8-9-19(28(32)33)18(11-14)26-23(31)15-5-4-7-16-20(15)27-22(25-16)17-6-2-3-10-24-17/h2-11,13,21,29-30H,12H2,1H3,(H,25,27)(H,26,31)