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

Systemtic Name: 2-methyl-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]pyrazole-3-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-2-methyl-pyrazole-3-carboxamide Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H16N4O5/c1-17-12(6-7-15-17)14(21)16-11(8-19)13(20)9-2-4-10(5-3-9)18(22)23/h2-7,11,13,19-20H,8H2,1H3,(H,16,21)