1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[6-nitro-2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[6-nitro-2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[2-(3-hydroxypropylamino)-6-nitro-benzimidazol-1-yl]ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(3-hydroxypropylamino)-6-nitro-1-benzimidazolyl]ethanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(3-hydroxypropylamino)-6-nitrobenzimidazol-1-yl]ethanone Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[2-(3-hydroxypropylamino)-6-nitro-benzimidazol-1-yl]ethanone Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2NCCCO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N=C2NCCCO

InChI

InChI=1S/C26H34N4O5/c1-25(2,3)18-12-16(13-19(23(18)33)26(4,5)6)22(32)15-29-21-14-17(30(34)35)8-9-20(21)28-24(29)27-10-7-11-31/h8-9,12-14,31,33H,7,10-11,15H2,1-6H3,(H,27,28)