1-[(4-bromanylpyrazol-1-yl)methyl]-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Formula: C22H19BrN6O4 MolecularWeight: 511.32806

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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=NN(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C22H19BrN6O4/c1-14-3-4-15(2)21(7-14)33-19-9-17(8-18(10-19)29(31)32)25-22(30)20-5-6-27(26-20)13-28-12-16(23)11-24-28/h3-12H,13H2,1-2H3,(H,25,30)