(Z)-1-[2-[bis(phenylmethyl)amino]ethoxy]-2-diazonio-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (Z)-1-[2-[bis(phenylmethyl)amino]ethoxy]-2-diazonio-3-oxidanylidene-but-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-[2-(dibenzylamino)ethoxy]-3-oxo-but-1-en-1-olate CAS Name: (Z)-1-[2-[bis(phenylmethyl)amino]ethoxy]-2-diazonio-3-oxo-1-buten-1-olate IUPAC Name: (Z)-2-diazonio-1-[2-(dibenzylamino)ethoxy]-3-oxobut-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-[2-(dibenzylamino)ethoxy]-3-keto-but-1-en-1-olate Formula: C20H21N3O3 MolecularWeight: 351.39904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C([O-])OCCN(CC1=CC=CC=C1)CC2=CC=CC=C2)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(\[O-])/OCCN(CC1=CC=CC=C1)CC2=CC=CC=C2)/[N+]#N

InChI

InChI=1S/C20H21N3O3/c1-16(24)19(22-21)20(25)26-13-12-23(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3