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

Systemtic Name: 4-[2,5-dimethyl-3-[(E)-[1-(4-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2,5-dimethyl-3-[(E)-[2,4,6-trioxo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2,5-dimethyl-3-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2,5-dimethyl-3-[(E)-[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2,5-dimethyl-3-[(E)-[2,4,6-triketo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)O)C)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)O)C)/C(=O)NC2=O

InChI

InChI=1S/C25H21N3O5/c1-14-4-8-20(9-5-14)28-23(30)21(22(29)26-25(28)33)13-18-12-15(2)27(16(18)3)19-10-6-17(7-11-19)24(31)32/h4-13H,1-3H3,(H,31,32)(H,26,29,33)/b21-13+