4-methyl-N-(2-methylpropyl)-5-(2-nitrophenoxy)-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-methyl-N-(2-methylpropyl)-5-(2-nitrophenoxy)-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-isobutyl-4-methyl-5-(2-nitrophenoxy)-1-phenyl-pyrazole-3-carboxamide CAS Name: 4-methyl-N-(2-methylpropyl)-5-(2-nitrophenoxy)-1-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-methyl-N-(2-methylpropyl)-5-(2-nitrophenoxy)-1-phenylpyrazole-3-carboxamide Traditional Name: N-isobutyl-4-methyl-5-(2-nitrophenoxy)-1-phenyl-pyrazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NCC(C)C)C2=CC=CC=C2)OC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(N(N=C1C(=O)NCC(C)C)C2=CC=CC=C2)OC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-14(2)13-22-20(26)19-15(3)21(24(23-19)16-9-5-4-6-10-16)29-18-12-8-7-11-17(18)25(27)28/h4-12,14H,13H2,1-3H3,(H,22,26)