4-bromanyl-1,5-dimethyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1,5-dimethyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C15H17BrN4O5 MolecularWeight: 413.22328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C15H17BrN4O5/c1-8-12(16)13(18-19(8)2)15(23)17-11(7-21)14(22)9-3-5-10(6-4-9)20(24)25/h3-6,11,14,21-22H,7H2,1-2H3,(H,17,23)