4-chloranyl-N-[4-[3-fluoranyl-5-(trifluoromethyl)pyrazol-1-yl]-2-nitro-phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-[3-fluoranyl-5-(trifluoromethyl)pyrazol-1-yl]-2-nitro-phenyl]benzamide Openeye Name: 4-chloro-N-[4-[3-fluoro-5-(trifluoromethyl)pyrazol-1-yl]-2-nitro-phenyl]benzamide CAS Name: 4-chloro-N-[4-[3-fluoro-5-(trifluoromethyl)-1-pyrazolyl]-2-nitrophenyl]benzamide IUPAC Name: 4-chloro-N-[4-[3-fluoro-5-(trifluoromethyl)pyrazol-1-yl]-2-nitrophenyl]benzamide Traditional Name: 4-chloro-N-[4-[3-fluoro-5-(trifluoromethyl)pyrazol-1-yl]-2-nitro-phenyl]benzamide Formula: C17H9ClF4N4O3 MolecularWeight: 428.724973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)N3C(=CC(=N3)F)C(F)(F)F)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)N3C(=CC(=N3)F)C(F)(F)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H9ClF4N4O3/c18-10-3-1-9(2-4-10)16(27)23-12-6-5-11(7-13(12)26(28)29)25-14(17(20,21)22)8-15(19)24-25/h1-8H,(H,23,27)