N-[6-(2,2-dimethylpropanoyl)-1-(1-oxidanylpropyl)benzimidazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[6-(2,2-dimethylpropanoyl)-1-(1-oxidanylpropyl)benzimidazol-2-yl]-3-nitro-benzamide Openeye Name: N-[6-(2,2-dimethylpropanoyl)-1-(1-hydroxypropyl)benzimidazol-2-yl]-3-nitro-benzamide CAS Name: N-[6-(2,2-dimethyl-1-oxopropyl)-1-(1-hydroxypropyl)-2-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[6-(2,2-dimethylpropanoyl)-1-(1-hydroxypropyl)benzimidazol-2-yl]-3-nitrobenzamide Traditional Name: N-[1-(1-hydroxypropyl)-6-pivaloyl-benzimidazol-2-yl]-3-nitro-benzamide Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C2=C(C=CC(=C2)C(=O)C(C)(C)C)N=C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CCC(N1C2=C(C=CC(=C2)C(=O)C(C)(C)C)N=C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H24N4O5/c1-5-18(27)25-17-12-13(19(28)22(2,3)4)9-10-16(17)23-21(25)24-20(29)14-7-6-8-15(11-14)26(30)31/h6-12,18,27H,5H2,1-4H3,(H,23,24,29)