(Z)-1-[tert-butyl(phenethyl)amino]-2-diazonio-2-diethoxyphosphoryl-ethenolate

Systemtic Name: (Z)-1-[tert-butyl(phenethyl)amino]-2-diazonio-2-diethoxyphosphoryl-ethenolate Openeye Name: (Z)-1-[tert-butyl(phenethyl)amino]-2-diazonio-2-diethoxyphosphoryl-ethenolate CAS Name: (Z)-1-[tert-butyl(phenethyl)amino]-2-diazonio-2-diethoxyphosphorylethenolate IUPAC Name: (Z)-1-[tert-butyl(phenethyl)amino]-2-diazonio-2-diethoxyphosphorylethenolate Traditional Name: (Z)-1-[tert-butyl(phenethyl)amino]-2-diazonio-2-diethoxyphosphoryl-ethenolate Formula: C18H28N3O4P MolecularWeight: 381.406381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(N(CCC1=CC=CC=C1)C(C)(C)C)[O-])[N+]#N)OCC

Isomeric SMILES

CCOP(=O)(/C(=C(/N(CCC1=CC=CC=C1)C(C)(C)C)\[O-])/[N+]#N)OCC

InChI

InChI=1S/C18H28N3O4P/c1-6-24-26(23,25-7-2)16(20-19)17(22)21(18(3,4)5)14-13-15-11-9-8-10-12-15/h8-12H,6-7,13-14H2,1-5H3