2-[2-bromanyl-4-[(E)-[1-(4-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoate

Systemtic Name: 2-[2-bromanyl-4-[(E)-[1-(4-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[2-bromo-4-[(E)-[2,4,6-trioxo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetate CAS Name: 2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-bromo-4-[(E)-[2,4,6-triketo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetate Formula: C20H14BrN2O6- MolecularWeight: 458.23896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)[O-])Br)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)[O-])Br)/C(=O)NC2=O

InChI

InChI=1S/C20H15BrN2O6/c1-11-2-5-13(6-3-11)23-19(27)14(18(26)22-20(23)28)8-12-4-7-16(15(21)9-12)29-10-17(24)25/h2-9H,10H2,1H3,(H,24,25)(H,22,26,28)/p-1/b14-8+