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

Systemtic Name: 2-chloranyl-4-[5-[(E)-[1-(4-methoxyphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(E)-[2,4,6-triketo-1-(4-methoxyphenyl)hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid Formula: C23H15ClN2O7 MolecularWeight: 466.8274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C(=O)NC2=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/C(=O)NC2=O

InChI

InChI=1S/C23H15ClN2O7/c1-32-14-5-3-13(4-6-14)26-21(28)17(20(27)25-23(26)31)11-15-7-9-19(33-15)12-2-8-16(22(29)30)18(24)10-12/h2-11H,1H3,(H,29,30)(H,25,27,31)/b17-11+