1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[1-(p-tolyl)propyl]pyrazole-3-carboxamide CAS Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[1-(p-tolyl)propyl]pyrazole-3-carboxamide Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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