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

Systemtic Name: 4-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide Openeye Name: 4-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide CAS Name: 4-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide IUPAC Name: 4-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide Traditional Name: 4-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butyramide Formula: C13H12F3N5O3 MolecularWeight: 343.26129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H12F3N5O3/c14-13(15,16)9-3-1-4-10(7-9)18-11(22)5-2-6-20-8-17-12(19-20)21(23)24/h1,3-4,7-8H,2,5-6H2,(H,18,22)