5-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C19H15F3N4O4 MolecularWeight: 420.34201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H15F3N4O4/c1-11-16(10-24-25(11)14-4-2-3-13(8-14)19(20,21)22)18(28)23-9-12-7-15(26(29)30)5-6-17(12)27/h2-8,10,27H,9H2,1H3,(H,23,28)