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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-ethylpyrazole-4-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-ethyl-pyrazole-4-carboxamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-4-23-12-15(11-21-23)20(25)22-16-8-17(24(26)27)10-19(9-16)28-18-6-13(2)5-14(3)7-18/h5-12H,4H2,1-3H3,(H,22,25)