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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C22H23FN4O6 MolecularWeight: 458.439623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H23FN4O6/c1-3-31-19-8-5-15(11-21(19)32-4-2)13-24-22(28)17-9-10-26(25-17)14-33-20-12-16(23)6-7-18(20)27(29)30/h5-12H,3-4,13-14H2,1-2H3,(H,24,28)