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

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]acetamide Formula: C20H18BrN5O6 MolecularWeight: 504.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O6/c1-11-4-5-12(2)17(6-11)32-16-8-14(7-15(9-16)25(28)29)22-18(27)10-24-13(3)19(21)20(23-24)26(30)31/h4-9H,10H2,1-3H3,(H,22,27)