2-(3H-benzimidazol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide

Systemtic Name: 2-(3H-benzimidazol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide Openeye Name: 2-(3H-benzimidazol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-benzamide CAS Name: 2-(3H-benzimidazol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-nitrobenzamide IUPAC Name: 2-(3H-benzimidazol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-nitrobenzamide Traditional Name: 2-(3H-benzimidazol-5-ylamino)-5-nitro-N-veratryl-benzamide Formula: C23H21N5O5 MolecularWeight: 447.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC4=C(C=C3)N=CN4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC4=C(C=C3)N=CN4)OC

InChI

InChI=1S/C23H21N5O5/c1-32-21-8-3-14(9-22(21)33-2)12-24-23(29)17-11-16(28(30)31)5-7-18(17)27-15-4-6-19-20(10-15)26-13-25-19/h3-11,13,27H,12H2,1-2H3,(H,24,29)(H,25,26)