3-methyl-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-1-[2,3,5-tris(chloranyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-methyl-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-1-[2,3,5-tris(chloranyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-methyl-5-(o-tolyl)-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-methyl-5-(2-methylphenyl)-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-methyl-5-(2-methylphenyl)-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-3-methyl-5-(o-tolyl)-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H17Cl3N2O4 MolecularWeight: 467.72968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4Cl)Cl)Cl)(C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=CC(=CC(=C4Cl)Cl)Cl)(C)C(=O)O

InChI

InChI=1S/C21H17Cl3N2O4/c1-9-5-3-4-6-13(9)26-18(27)14-15(19(26)28)21(2,20(29)30)25-17(14)11-7-10(22)8-12(23)16(11)24/h3-8,14-15,17,25H,1-2H3,(H,29,30)