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

Systemtic Name: N-[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]-3-phenyl-prop-2-ynamide Openeye Name: N-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]-3-phenyl-prop-2-ynamide CAS Name: N-[4-(1-hydroxy-6-nitro-2-benzimidazolyl)phenyl]-3-phenyl-2-propynamide IUPAC Name: N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-phenylprop-2-ynamide Traditional Name: N-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)phenyl]-3-phenyl-propiolamide Formula: C22H14N4O4 MolecularWeight: 398.37096

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C22H14N4O4/c27-21(13-6-15-4-2-1-3-5-15)23-17-9-7-16(8-10-17)22-24-19-12-11-18(26(29)30)14-20(19)25(22)28/h1-5,7-12,14,28H,(H,23,27)