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

Systemtic Name: 1-(4-acetyloxyphenyl)-5-tert-butyl-3-(carboxymethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-5-tert-butyl-3-(carboxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-5-tert-butyl-3-(carboxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-5-tert-butyl-3-(carboxymethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-5-tert-butyl-3-(carboxymethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C(C)(C)C)C(N2)(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C(C)(C)C)C(N2)(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H24N2O8/c1-10(24)31-12-7-5-11(6-8-12)16-14-15(18(28)23(17(14)27)20(2,3)4)21(22-16,19(29)30)9-13(25)26/h5-8,14-16,22H,9H2,1-4H3,(H,25,26)(H,29,30)