2-[2,3-bis(bromanyl)-6-ethoxy-4-[[1-(4-methoxyphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2,3-bis(bromanyl)-6-ethoxy-4-[[1-(4-methoxyphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanenitrile Openeye Name: 2-[2,3-dibromo-6-ethoxy-4-[[1-(4-methoxyphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetonitrile CAS Name: 2-[2,3-dibromo-6-ethoxy-4-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetonitrile IUPAC Name: 2-[2,3-dibromo-6-ethoxy-4-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetonitrile Traditional Name: 2-[2,3-dibromo-6-ethoxy-4-[[2,4,6-triketo-1-(4-methoxyphenyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetonitrile Formula: C22H17Br2N3O6 MolecularWeight: 579.19488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC)Br)Br)OCC#N

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC)Br)Br)OCC#N

InChI

InChI=1S/C22H17Br2N3O6/c1-3-32-16-11-12(17(23)18(24)19(16)33-9-8-25)10-15-20(28)26-22(30)27(21(15)29)13-4-6-14(31-2)7-5-13/h4-7,10-11H,3,9H2,1-2H3,(H,26,28,30)