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

Systemtic Name: 3-[5-[(E)-[1-(3-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-[1-(m-tolyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-[2,4,6-triketo-1-(m-tolyl)hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid Formula: C23H16N2O6 MolecularWeight: 416.38294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C(=O)NC2=O

InChI

InChI=1S/C23H16N2O6/c1-13-4-2-7-16(10-13)25-21(27)18(20(26)24-23(25)30)12-17-8-9-19(31-17)14-5-3-6-15(11-14)22(28)29/h2-12H,1H3,(H,28,29)(H,24,26,30)/b18-12+