N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]-2-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-methylol-1-(4-methylolcyclohexyl)benzimidazol-2-yl]-3-nitro-benzamide Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CO)N2C3=C(C=C(C=C3)CO)N=C2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1CO)N2C3=C(C=C(C=C3)CO)N=C2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5/c27-12-14-4-7-17(8-5-14)25-20-9-6-15(13-28)10-19(20)23-22(25)24-21(29)16-2-1-3-18(11-16)26(30)31/h1-3,6,9-11,14,17,27-28H,4-5,7-8,12-13H2,(H,23,24,29)