5-(2-fluoranyl-4-nitro-phenoxy)-4-methyl-N-(2-methylpropyl)-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-(2-fluoranyl-4-nitro-phenoxy)-4-methyl-N-(2-methylpropyl)-1-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(2-fluoro-4-nitro-phenoxy)-N-isobutyl-4-methyl-1-phenyl-pyrazole-3-carboxamide CAS Name: 5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(2-methylpropyl)-1-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(2-fluoro-4-nitrophenoxy)-4-methyl-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide Traditional Name: 5-(2-fluoro-4-nitro-phenoxy)-N-isobutyl-4-methyl-1-phenyl-pyrazole-3-carboxamide Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NCC(C)C)C2=CC=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(N(N=C1C(=O)NCC(C)C)C2=CC=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H21FN4O4/c1-13(2)12-23-20(27)19-14(3)21(25(24-19)15-7-5-4-6-8-15)30-18-10-9-16(26(28)29)11-17(18)22/h4-11,13H,12H2,1-3H3,(H,23,27)