1-(1-benzofuran-2-yl)-5-tert-butyl-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(1-benzofuran-2-yl)-5-tert-butyl-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(benzofuran-2-yl)-5-tert-butyl-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-benzofuranyl)-5-tert-butyl-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1-benzofuran-2-yl)-5-tert-butyl-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(benzofuran-2-yl)-5-tert-butyl-4,6-diketo-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H25N3O7 MolecularWeight: 491.4926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC4=CC=CC=C4O3)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC4=CC=CC=C4O3)(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H25N3O7/c1-25(2,3)28-22(30)19-20(23(28)31)26(24(32)33,13-14-8-10-16(11-9-14)29(34)35)27-21(19)18-12-15-6-4-5-7-17(15)36-18/h4-12,19-21,27H,13H2,1-3H3,(H,32,33)