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

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]propanamide Openeye Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]propanamide CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]propionamide Formula: C21H20BrClN4O4 MolecularWeight: 507.7649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrClN4O4/c1-11-7-17(5-6-19(11)23)31-18-9-15(8-16(10-18)27(29)30)24-21(28)14(4)26-13(3)20(22)12(2)25-26/h5-10,14H,1-4H3,(H,24,28)