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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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