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

Systemtic Name: 3-(4-bromanyl-5-methyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-bromo-5-methyl-1-pyrazolyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]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)CCN3C(=C(C=N3)Br)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C=N3)Br)C)C

InChI

InChI=1S/C21H21BrN4O4/c1-13-6-14(2)8-18(7-13)30-19-10-16(9-17(11-19)26(28)29)24-21(27)4-5-25-15(3)20(22)12-23-25/h6-12H,4-5H2,1-3H3,(H,24,27)