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

Systemtic Name: 4-nitro-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1H-pyrazole-5-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H13N5O7 MolecularWeight: 351.27162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=O)C2=C(C=NN2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=O)C2=C(C=NN2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O7/c19-6-9(12(20)7-1-3-8(4-2-7)17(22)23)15-13(21)11-10(18(24)25)5-14-16-11/h1-5,9,12,19-20H,6H2,(H,14,16)(H,15,21)