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

Systemtic Name: 2-[3-[[1-(furan-2-ylmethyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 2-[3-[[1-(2-furylmethyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 2-[3-[[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 2-[3-[[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 2-[3-[[1-(2-furfuryl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C23H19N3O6 MolecularWeight: 433.41346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4

InChI

InChI=1S/C23H19N3O6/c1-13-10-15(14(2)26(13)19-8-4-3-7-17(19)22(29)30)11-18-20(27)24-23(31)25(21(18)28)12-16-6-5-9-32-16/h3-11H,12H2,1-2H3,(H,29,30)(H,24,27,31)