1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)pyrazole-3-carboxamide Formula: C21H21FN4O5 MolecularWeight: 428.413643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O5/c1-12(2)15-10-17(13(3)8-19(15)27)23-21(28)16-6-7-25(24-16)11-31-20-9-14(22)4-5-18(20)26(29)30/h4-10,12,27H,11H2,1-3H3,(H,23,28)