N-[1-(2,5-dimethoxyphenyl)ethyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H21FN4O6 MolecularWeight: 444.413043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O6/c1-13(16-11-15(30-2)5-7-19(16)31-3)23-21(27)17-8-9-25(24-17)12-32-20-10-14(22)4-6-18(20)26(28)29/h4-11,13H,12H2,1-3H3,(H,23,27)