N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C17H12ClN5O4 MolecularWeight: 385.76128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN5O4/c18-12-6-7-14(13(8-12)16(25)11-4-2-1-3-5-11)20-15(24)9-22-10-19-17(21-22)23(26)27/h1-8,10H,9H2,(H,20,24)