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

Systemtic Name: 1,3-dimethyl-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-dimethyl-pyrazole-4-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,3-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,3-dimethylpyrazole-4-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1,3-dimethyl-pyrazole-4-carboxamide Formula: C15H18N4O5 MolecularWeight: 334.32722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=NN(C=C1C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C15H18N4O5/c1-9-12(7-18(2)17-9)15(22)16-13(8-20)14(21)10-3-5-11(6-4-10)19(23)24/h3-7,13-14,20-21H,8H2,1-2H3,(H,16,22)