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

Systemtic Name: 1-(4-acetyloxyphenyl)-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-3-benzyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-3-benzyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-3-benzyl-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H20N2O6 MolecularWeight: 408.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2C3C(C(=O)NC3=O)C(N2)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2C3C(C(=O)NC3=O)C(N2)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H20N2O6/c1-12(25)30-15-9-7-14(8-10-15)18-16-17(20(27)23-19(16)26)22(24-18,21(28)29)11-13-5-3-2-4-6-13/h2-10,16-18,24H,11H2,1H3,(H,28,29)(H,23,26,27)