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

Systemtic Name: 3-methyl-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1-[2,3,5-tris(chloranyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-3-methyl-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-methyl-4,6-dioxo-5-(phenylmethyl)-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-3-methyl-4,6-dioxo-1-(2,3,5-trichlorophenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-benzyl-4,6-diketo-3-methyl-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(C2C(C(N1)C3=CC(=CC(=C3Cl)Cl)Cl)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1(C2C(C(N1)C3=CC(=CC(=C3Cl)Cl)Cl)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H17Cl3N2O4/c1-21(20(29)30)15-14(17(25-21)12-7-11(22)8-13(23)16(12)24)18(27)26(19(15)28)9-10-5-3-2-4-6-10/h2-8,14-15,17,25H,9H2,1H3,(H,29,30)