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

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C18H14ClN5O4 MolecularWeight: 399.78786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O4/c1-11-20-18(24(27)28)22-23(11)10-16(25)21-15-8-7-13(19)9-14(15)17(26)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,25)