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

Systemtic Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethyloxy)phenyl]benzamide Openeye Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide CAS Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide IUPAC Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide Traditional Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide Formula: C16H10F3N5O4 MolecularWeight: 393.27691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C16H10F3N5O4/c17-16(18,19)28-12-4-2-11(3-5-12)22-15(25)10-1-6-13(14(7-10)24(26)27)23-9-20-8-21-23/h1-9H,(H,22,25)