N-butan-2-yl-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-butan-2-yl-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-sec-butyl-pyrazole-3-carboxamide CAS Name: N-butan-2-yl-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-butan-2-yl-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-sec-butyl-pyrazole-3-carboxamide Formula: C15H17FN4O4 MolecularWeight: 336.318283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=NN(C=C1)COC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=NN(C=C1)COC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C15H17FN4O4/c1-3-10(2)17-15(21)12-6-7-19(18-12)9-24-14-8-11(16)4-5-13(14)20(22)23/h4-8,10H,3,9H2,1-2H3,(H,17,21)