4-(1-ethoxy-1-oxidanylidene-3-triphenylphosphaniumyl-propan-2-yl)-5-nitro-1,2,4-triazol-3-olate

Systemtic Name: 4-(1-ethoxy-1-oxidanylidene-3-triphenylphosphaniumyl-propan-2-yl)-5-nitro-1,2,4-triazol-3-olate Openeye Name: 4-[2-ethoxy-2-oxo-1-(triphenylphosphaniumylmethyl)ethyl]-5-nitro-1,2,4-triazol-3-olate CAS Name: 4-(1-ethoxy-1-oxo-3-triphenylphosphiniumylpropan-2-yl)-5-nitro-1,2,4-triazol-3-olate IUPAC Name: 4-(1-ethoxy-1-oxo-3-triphenylphosphaniumylpropan-2-yl)-5-nitro-1,2,4-triazol-3-olate Traditional Name: 4-[2-ethoxy-2-keto-1-(triphenylphosphiniumylmethyl)ethyl]-5-nitro-1,2,4-triazol-3-olate Formula: C25H23N4O5P MolecularWeight: 490.447681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=NN=C4[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=NN=C4[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H23N4O5P/c1-2-34-23(30)22(28-24(29(32)33)26-27-25(28)31)18-35(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3