4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(trifluoromethyloxy)phenyl]butanamide

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(trifluoromethyloxy)phenyl]butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[4-(trifluoromethoxy)phenyl]butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]butyramide Formula: C16H17F3N4O4 MolecularWeight: 386.32579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17F3N4O4/c1-10-15(23(25)26)11(2)22(21-10)9-3-4-14(24)20-12-5-7-13(8-6-12)27-16(17,18)19/h5-8H,3-4,9H2,1-2H3,(H,20,24)