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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-homoveratryl-pyrazole-3-carboxamide Formula: C21H21FN4O6 MolecularWeight: 444.413043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21FN4O6/c1-30-18-6-3-14(11-20(18)31-2)7-9-23-21(27)16-8-10-25(24-16)13-32-19-12-15(22)4-5-17(19)26(28)29/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,23,27)