N-[(4-fluorophenyl)methyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C12H11FN4O3 MolecularWeight: 278.239143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H11FN4O3/c1-16-7-10(17(19)20)11(15-16)12(18)14-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,18)