4-bromanyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-ethyl-pyrazole-3-carboxamide Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O4/c1-4-24-19(18(21)11-22-24)20(26)23-14-8-15(25(27)28)10-17(9-14)29-16-6-12(2)5-13(3)7-16/h5-11H,4H2,1-3H3,(H,23,26)