1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-chlorophenoxy)-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Formula: C22H18BrClN6O4 MolecularWeight: 545.77312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-])C)Br

InChI

InChI=1S/C22H18BrClN6O4/c1-13-21(23)14(2)29(26-13)12-28-8-7-20(27-28)22(31)25-16-9-17(30(32)33)11-19(10-16)34-18-5-3-15(24)4-6-18/h3-11H,12H2,1-2H3,(H,25,31)