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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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