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

Systemtic Name: 2-[5-bromanyl-2-methoxy-4-[(E)-[1-(4-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]ethanoic acid Openeye Name: 2-[5-bromo-2-methoxy-4-[(E)-[2,4,6-trioxo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetic acid CAS Name: 2-[5-bromo-2-methoxy-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[5-bromo-2-methoxy-4-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid Traditional Name: 2-[5-bromo-2-methoxy-4-[(E)-[2,4,6-triketo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]acetic acid Formula: C21H17BrN2O7 MolecularWeight: 489.27288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3Br)OCC(=O)O)OC)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3Br)OCC(=O)O)OC)/C(=O)NC2=O

InChI

InChI=1S/C21H17BrN2O7/c1-11-3-5-13(6-4-11)24-20(28)14(19(27)23-21(24)29)7-12-8-16(30-2)17(9-15(12)22)31-10-18(25)26/h3-9H,10H2,1-2H3,(H,25,26)(H,23,27,29)/b14-7+