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

Systemtic Name: 1,3,5-trimethyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-4-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1,3,5-trimethyl-pyrazole-4-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,3,5-trimethyl-4-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,3,5-trimethylpyrazole-4-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1,3,5-trimethyl-pyrazole-4-carboxamide Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O5/c1-9-14(10(2)19(3)18-9)16(23)17-13(8-21)15(22)11-4-6-12(7-5-11)20(24)25/h4-7,13,15,21-22H,8H2,1-3H3,(H,17,23)