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

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-methylpropanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-methylpropanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-propionamide Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O4/c1-13-4-14(2)6-19(5-13)30-20-8-17(7-18(9-20)26(28)29)24-21(27)15(3)11-25-12-16(22)10-23-25/h4-10,12,15H,11H2,1-3H3,(H,24,27)