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

Systemtic Name: 3-(1-hydroxyethyl)-5-(3-nitrophenyl)-4,6-bis(oxidanylidene)-1-[3-(trifluoromethyloxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(1-hydroxyethyl)-5-(3-nitrophenyl)-4,6-dioxo-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(1-hydroxyethyl)-5-(3-nitrophenyl)-4,6-dioxo-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(1-hydroxyethyl)-5-(3-nitrophenyl)-4,6-dioxo-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(1-hydroxyethyl)-4,6-diketo-5-(3-nitrophenyl)-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H18F3N3O8 MolecularWeight: 509.38883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(C2C(C(N1)C3=CC(=CC=C3)OC(F)(F)F)C(=O)N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC(C1(C2C(C(N1)C3=CC(=CC=C3)OC(F)(F)F)C(=O)N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C22H18F3N3O8/c1-10(29)21(20(32)33)16-15(17(26-21)11-4-2-7-14(8-11)36-22(23,24)25)18(30)27(19(16)31)12-5-3-6-13(9-12)28(34)35/h2-10,15-17,26,29H,1H3,(H,32,33)