1-(4-bromophenyl)-5-(4-ethanoylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-5-(4-ethanoylphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(4-acetylphenyl)-3-benzyl-1-(4-bromophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(4-acetylphenyl)-1-(4-bromophenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(4-acetylphenyl)-3-benzyl-1-(4-bromophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-acetylphenyl)-3-benzyl-1-(4-bromophenyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H23BrN2O5 MolecularWeight: 547.39662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)Br)(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)Br)(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H23BrN2O5/c1-16(32)18-9-13-21(14-10-18)31-25(33)22-23(26(31)34)28(27(35)36,15-17-5-3-2-4-6-17)30-24(22)19-7-11-20(29)12-8-19/h2-14,22-24,30H,15H2,1H3,(H,35,36)