4-bromanyl-2,5-dimethyl-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-2,5-dimethyl-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-2,5-dimethyl-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide CAS Name: 4-bromo-2,5-dimethyl-N-(4-methyl-3,5-dinitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-2,5-dimethyl-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-2,5-dimethyl-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Formula: C13H12BrN5O5 MolecularWeight: 398.16888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=C(C(=NN2C)C)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=C(C(=NN2C)C)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN5O5/c1-6-9(18(21)22)4-8(5-10(6)19(23)24)15-13(20)12-11(14)7(2)16-17(12)3/h4-5H,1-3H3,(H,15,20)