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

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]propionamide Formula: C22H23BrN4O4 MolecularWeight: 487.34642

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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)N3C(=C(C(=N3)C)Br)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C(=C(C(=N3)C)Br)C)C

InChI

InChI=1S/C22H23BrN4O4/c1-12-6-13(2)8-19(7-12)31-20-10-17(9-18(11-20)27(29)30)24-22(28)16(5)26-15(4)21(23)14(3)25-26/h6-11,16H,1-5H3,(H,24,28)