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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O4/c1-12-6-13(2)14(3)20(7-12)31-19-9-17(8-18(10-19)27(29)30)24-21(28)11-26-16(5)22(23)15(4)25-26/h6-10H,11H2,1-5H3,(H,24,28)