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

Systemtic Name: 3-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]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-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=CC(=NN2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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