2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C17H11BrClN5O4 MolecularWeight: 464.65734

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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrClN5O4/c18-16-21-17(24(27)28)22-23(16)9-14(25)20-13-7-6-11(19)8-12(13)15(26)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,25)