N-[3-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-benzamide CAS Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitrobenzamide Traditional Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-benzamide Formula: C15H14ClF3N4O3 MolecularWeight: 390.74487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C15H14ClF3N4O3/c1-9-12(16)13(15(17,18)19)21-22(9)8-2-7-20-14(24)10-3-5-11(6-4-10)23(25)26/h3-6H,2,7-8H2,1H3,(H,20,24)