3-[5-[(E)-[1-(3-bromophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(E)-[1-(3-bromophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-[1-(3-bromophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid Formula: C22H13BrN2O6 MolecularWeight: 481.25242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H13BrN2O6/c23-14-5-2-6-15(10-14)25-20(27)17(19(26)24-22(25)30)11-16-7-8-18(31-16)12-3-1-4-13(9-12)21(28)29/h1-11H,(H,28,29)(H,24,26,30)/b17-11+