4-bromanyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-methyl-pyrazole-3-carboxamide Formula: C19H17BrN4O4 MolecularWeight: 445.26668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C=NN3C)Br)C

InChI

InChI=1S/C19H17BrN4O4/c1-11-4-12(2)6-15(5-11)28-16-8-13(7-14(9-16)24(26)27)22-19(25)18-17(20)10-21-23(18)3/h4-10H,1-3H3,(H,22,25)