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

Systemtic Name: 1-(4-acetyloxyphenyl)-3-(carboxymethyl)-5-(4-ethanoylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-5-(4-acetylphenyl)-3-(carboxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-5-(4-acetylphenyl)-3-(carboxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-5-(4-acetylphenyl)-3-(carboxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-5-(4-acetylphenyl)-3-(carboxymethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H22N2O9 MolecularWeight: 494.45018

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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)OC(=O)C)(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)OC(=O)C)(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H22N2O9/c1-12(28)14-3-7-16(8-4-14)27-22(32)19-20(23(27)33)25(24(34)35,11-18(30)31)26-21(19)15-5-9-17(10-6-15)36-13(2)29/h3-10,19-21,26H,11H2,1-2H3,(H,30,31)(H,34,35)