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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O4/c1-12-7-13(2)14(3)21(8-12)32-20-10-18(9-19(11-20)28(30)31)25-23(29)17(6)27-16(5)22(24)15(4)26-27/h7-11,17H,1-6H3,(H,25,29)