3-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-4,6-diketo-5-(3-nitrophenyl)-1-[3-(trifluoromethoxy)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H21F3N4O7 MolecularWeight: 594.49485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3(C4C(C(N3)C5=CC(=CC=C5)OC(F)(F)F)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3(C4C(C(N3)C5=CC(=CC=C5)OC(F)(F)F)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C29H21F3N4O7/c30-29(31,32)43-19-8-3-5-15(11-19)24-22-23(26(38)35(25(22)37)17-6-4-7-18(12-17)36(41)42)28(34-24,27(39)40)13-16-14-33-21-10-2-1-9-20(16)21/h1-12,14,22-24,33-34H,13H2,(H,39,40)