3-methyl-4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-methyl-4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide CAS Name: 3-methyl-4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-methyl-4-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide Formula: C17H12F3N5O3 MolecularWeight: 391.30409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N5O3/c1-10-6-11(2-4-14(10)25(27)28)16(26)23-13-7-12(17(18,19)20)3-5-15(13)24-9-21-8-22-24/h2-9H,1H3,(H,23,26)