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

Systemtic Name: 1-(3-bromanyl-4,5-dimethoxy-phenyl)-5-(3-chloranyl-4-methyl-phenyl)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(3-bromo-4,5-dimethoxy-phenyl)-5-(3-chloro-4-methyl-phenyl)-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3-bromo-4,5-dimethoxyphenyl)-5-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(3-bromo-4,5-dimethoxyphenyl)-5-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(3-bromo-4,5-dimethoxy-phenyl)-5-(3-chloro-4-methyl-phenyl)-4,6-diketo-3-methylol-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H22BrClN2O7 MolecularWeight: 553.78698

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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)Br)OC)OC)(CO)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrClN2O7/c1-10-4-5-12(8-14(10)25)27-20(29)16-17(21(27)30)23(9-28,22(31)32)26-18(16)11-6-13(24)19(34-3)15(7-11)33-2/h4-8,16-18,26,28H,9H2,1-3H3,(H,31,32)