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

Systemtic Name: 2-chloranyl-5-[3-[(E)-[1-(2,4-dimethoxyphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[3-[(E)-[1-(2,4-dimethoxyphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 2-chloro-5-[3-[(E)-[1-(2,4-dimethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 2-chloro-5-[3-[(E)-[1-(2,4-dimethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[3-[(E)-[1-(2,4-dimethoxyphenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C26H22ClN3O7 MolecularWeight: 523.92178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=C3C(=O)NC(=O)N(C3=O)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C26H22ClN3O7/c1-13-9-15(14(2)29(13)16-5-7-20(27)18(11-16)25(33)34)10-19-23(31)28-26(35)30(24(19)32)21-8-6-17(36-3)12-22(21)37-4/h5-12H,1-4H3,(H,33,34)(H,28,31,35)/b19-10+