5-diethoxyphosphoryl-3-nitro-4-phenyl-1H-pyrazole

Systemtic Name: 5-diethoxyphosphoryl-3-nitro-4-phenyl-1H-pyrazole Openeye Name: 5-diethoxyphosphoryl-3-nitro-4-phenyl-1H-pyrazole CAS Name: 5-diethoxyphosphoryl-3-nitro-4-phenyl-1H-pyrazole IUPAC Name: 5-diethoxyphosphoryl-3-nitro-4-phenyl-1H-pyrazole Traditional Name: 5-diethoxyphosphoryl-3-nitro-4-phenyl-1H-pyrazole Formula: C13H16N3O5P MolecularWeight: 325.257001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C(=NN1)[N+](=O)[O-])C2=CC=CC=C2)OCC

Isomeric SMILES

CCOP(=O)(C1=C(C(=NN1)[N+](=O)[O-])C2=CC=CC=C2)OCC

InChI

InChI=1S/C13H16N3O5P/c1-3-20-22(19,21-4-2)13-11(10-8-6-5-7-9-10)12(14-15-13)16(17)18/h5-9H,3-4H2,1-2H3,(H,14,15)