3-(carboxymethyl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(carboxymethyl)-5-(3-nitrophenyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(carboxymethyl)-5-(3-nitrophenyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(carboxymethyl)-5-(3-nitrophenyl)-4,6-dioxo-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(carboxymethyl)-4,6-diketo-5-(3-nitrophenyl)-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H20F3N3O9 MolecularWeight: 599.46831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])C(N3)(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)C3C4C(C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-])C(N3)(CC(=O)O)C(=O)O

InChI

InChI=1S/C28H20F3N3O9/c29-28(30,31)15-5-2-9-19(11-15)43-18-8-1-4-14(10-18)23-21-22(27(32-23,26(39)40)13-20(35)36)25(38)33(24(21)37)16-6-3-7-17(12-16)34(41)42/h1-12,21-23,32H,13H2,(H,35,36)(H,39,40)