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

Systemtic Name: 2-chloranyl-4-[5-[[1-(furan-2-ylmethyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[[1-(2-furylmethyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[[1-(2-furfuryl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid Formula: C21H13ClN2O7 MolecularWeight: 440.79012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C(=O)NC2=O

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C(=O)NC2=O

InChI

InChI=1S/C21H13ClN2O7/c22-16-8-11(3-5-14(16)20(27)28)17-6-4-12(31-17)9-15-18(25)23-21(29)24(19(15)26)10-13-2-1-7-30-13/h1-9H,10H2,(H,27,28)(H,23,25,29)