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

Systemtic Name: 3-(4-fluorophenyl)-N-[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]prop-2-ynamide Openeye Name: 3-(4-fluorophenyl)-N-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]prop-2-ynamide CAS Name: 3-(4-fluorophenyl)-N-[4-(1-hydroxy-6-nitro-2-benzimidazolyl)phenyl]-2-propynamide IUPAC Name: 3-(4-fluorophenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-ynamide Traditional Name: 3-(4-fluorophenyl)-N-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]propiolamide Formula: C22H13FN4O4 MolecularWeight: 416.361423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3O)C=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C#CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3O)C=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H13FN4O4/c23-16-6-1-14(2-7-16)3-12-21(28)24-17-8-4-15(5-9-17)22-25-19-11-10-18(27(30)31)13-20(19)26(22)29/h1-2,4-11,13,29H,(H,24,28)