3-butan-2-yl-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-butan-2-yl-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: 5-(3-nitrophenyl)-4,6-dioxo-3-sec-butyl-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butan-2-yl-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-butan-2-yl-5-(3-nitrophenyl)-4,6-dioxo-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-5-(3-nitrophenyl)-3-sec-butyl-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H22F3N3O7 MolecularWeight: 521.44259

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)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

Isomeric SMILES

CCC(C)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

InChI

InChI=1S/C24H22F3N3O7/c1-3-12(2)23(22(33)34)18-17(19(28-23)13-6-4-9-16(10-13)37-24(25,26)27)20(31)29(21(18)32)14-7-5-8-15(11-14)30(35)36/h4-12,17-19,28H,3H2,1-2H3,(H,33,34)