5-(3-chloranyl-4-methyl-phenyl)-1-(3,5-dimethyl-4-oxidanyl-phenyl)-4,6-bis(oxidanylidene)-3-phenyl-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)-4,6-bis(oxidanylidene)-3-phenyl-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)-4,6-dioxo-3-phenyl-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)-4,6-dioxo-3-phenyl-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)-4,6-dioxo-3-phenyl-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-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H25ClN2O5 MolecularWeight: 504.9615

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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)(C5=CC=CC=C5)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)(C5=CC=CC=C5)C(=O)O)Cl

InChI

InChI=1S/C28H25ClN2O5/c1-14-9-10-19(13-20(14)29)31-25(33)21-22(26(31)34)28(27(35)36,18-7-5-4-6-8-18)30-23(21)17-11-15(2)24(32)16(3)12-17/h4-13,21-23,30,32H,1-3H3,(H,35,36)