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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-1-(3,5-dimethyl-4-oxidanyl-phenyl)-3-methyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(3-chloro-4-methyl-phenyl)-1-(4-hydroxy-3,5-dimethyl-phenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(3-chloro-4-methylphenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(3-chloro-4-methylphenyl)-1-(4-hydroxy-3,5-dimethylphenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(3-chloro-4-methyl-phenyl)-1-(4-hydroxy-3,5-dimethyl-phenyl)-4,6-diketo-3-methyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C(=C4)C)O)C)(C)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC(=C(C(=C4)C)O)C)(C)C(=O)O)Cl

InChI

InChI=1S/C23H23ClN2O5/c1-10-5-6-14(9-15(10)24)26-20(28)16-17(21(26)29)23(4,22(30)31)25-18(16)13-7-11(2)19(27)12(3)8-13/h5-9,16-18,25,27H,1-4H3,(H,30,31)