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

Systemtic Name: 5-[3-[[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2,5-dimethyl-3-[(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]isophthalic acid Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C3C(=O)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C3C(=O)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H19N3O7/c1-10-5-12(9-16-17(25)22(3)21(31)23(4)18(16)26)11(2)24(10)15-7-13(19(27)28)6-14(8-15)20(29)30/h5-9H,1-4H3,(H,27,28)(H,29,30)