3-(4-methoxyphenyl)-N-[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]prop-2-ynamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]prop-2-ynamide Openeye Name: N-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)prop-2-ynamide CAS Name: N-[4-(1-hydroxy-6-nitro-2-benzimidazolyl)phenyl]-3-(4-methoxyphenyl)-2-propynamide IUPAC Name: N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)prop-2-ynamide Traditional Name: N-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)propiolamide Formula: C23H16N4O5 MolecularWeight: 428.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C#CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O5/c1-32-19-10-2-15(3-11-19)4-13-22(28)24-17-7-5-16(6-8-17)23-25-20-12-9-18(27(30)31)14-21(20)26(23)29/h2-3,5-12,14,29H,1H3,(H,24,28)