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

Systemtic Name: 2-[2-bromanyl-4-[[1-(3,5-dimethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-6-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[[1-(3,5-dimethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-6-ethoxy-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-ethoxyphenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-ethoxyphenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[[1-(3,5-dimethylphenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-6-ethoxy-phenoxy]acetic acid Formula: C23H21BrN2O7 MolecularWeight: 517.32604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O7/c1-4-32-18-10-14(9-17(24)20(18)33-11-19(27)28)8-16-21(29)25-23(31)26(22(16)30)15-6-12(2)5-13(3)7-15/h5-10H,4,11H2,1-3H3,(H,27,28)(H,25,29,31)