3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-methylpropanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-methylpropanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-propionamide Formula: C23H25BrN4O4 MolecularWeight: 501.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)CN3C(=C(C(=N3)C)Br)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)CN3C(=C(C(=N3)C)Br)C)C

InChI

InChI=1S/C23H25BrN4O4/c1-13-6-14(2)8-20(7-13)32-21-10-18(9-19(11-21)28(30)31)25-23(29)15(3)12-27-17(5)22(24)16(4)26-27/h6-11,15H,12H2,1-5H3,(H,25,29)