1-(5-bromanyl-2-oxidanyl-phenyl)-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-oxidanyl-phenyl)-5-(2-methylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-benzyl-1-(5-bromo-2-hydroxy-phenyl)-5-(o-tolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-hydroxyphenyl)-5-(2-methylphenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-benzyl-1-(5-bromo-2-hydroxyphenyl)-5-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-benzyl-1-(5-bromo-2-hydroxy-phenyl)-4,6-diketo-5-(o-tolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H23BrN2O5 MolecularWeight: 535.38592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)O)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=C(C=CC(=C4)Br)O)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H23BrN2O5/c1-15-7-5-6-10-19(15)30-24(32)21-22(25(30)33)27(26(34)35,14-16-8-3-2-4-9-16)29-23(21)18-13-17(28)11-12-20(18)31/h2-13,21-23,29,31H,14H2,1H3,(H,34,35)