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

Systemtic Name: 4-[[4-bromanyl-2-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C19H13BrN2O6 MolecularWeight: 445.22032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=O)NC3=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=O)NC3=O)C(=O)O

InChI

InChI=1S/C19H13BrN2O6/c20-13-5-6-15(28-9-10-1-3-11(4-2-10)18(25)26)12(7-13)8-14-16(23)21-19(27)22-17(14)24/h1-8H,9H2,(H,25,26)(H2,21,22,23,24,27)