N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-(2-fluorobenzyl)-1,2,4-triazol-3-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C15H14FN7O3 MolecularWeight: 359.315163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC=CC=C3F)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC=CC=C3F)C

InChI

InChI=1S/C15H14FN7O3/c1-9-12(23(25)26)13(21(2)19-9)14(24)18-15-17-8-22(20-15)7-10-5-3-4-6-11(10)16/h3-6,8H,7H2,1-2H3,(H,18,20,24)