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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C(=NN3C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C(=NN3C)C)Br

InChI

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