2-[bis(fluoranyl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 2-[bis(fluoranyl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 2-(difluoromethyl)-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 2-(difluoromethyl)-N-(4-ethoxy-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 2-(difluoromethyl)-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 2-(difluoromethyl)-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C13H12F2N4O4 MolecularWeight: 326.255586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2=CC=NN2C(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2=CC=NN2C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F2N4O4/c1-2-23-8-3-4-9(11(7-8)19(21)22)17-12(20)10-5-6-16-18(10)13(14)15/h3-7,13H,2H2,1H3,(H,17,20)