N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-ethyl-3-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-ethyl-3-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-ethyl-3-methyl-pyrazole-4-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-ethyl-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-ethyl-3-methyl-pyrazole-4-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-5-24-12-20(15(4)23-24)21(26)22-16-9-17(25(27)28)11-19(10-16)29-18-7-13(2)6-14(3)8-18/h6-12H,5H2,1-4H3,(H,22,26)