N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C16H16ClF3N4O3 MolecularWeight: 404.77145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClF3N4O3/c1-9-15(24(26)27)10(2)23(22-9)7-3-4-14(25)21-13-8-11(16(18,19)20)5-6-12(13)17/h5-6,8H,3-4,7H2,1-2H3,(H,21,25)