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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide Traditional Name: 3-(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)CCN3C(=C(C(=N3)C)Br)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O4/c1-13-8-14(2)15(3)21(9-13)32-20-11-18(10-19(12-20)28(30)31)25-22(29)6-7-27-17(5)23(24)16(4)26-27/h8-12H,6-7H2,1-5H3,(H,25,29)