[(2,6-dinitro-3-pyrrolidin-1-yl-phenyl)-phenyl-methyl] 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: [(2,6-dinitro-3-pyrrolidin-1-yl-phenyl)-phenyl-methyl] 2,2,2-tris(chloranyl)ethanoate Openeye Name: [(2,6-dinitro-3-pyrrolidin-1-yl-phenyl)-phenyl-methyl] 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid [[2,6-dinitro-3-(1-pyrrolidinyl)phenyl]-phenylmethyl] ester IUPAC Name: [(2,6-dinitro-3-pyrrolidin-1-ylphenyl)-phenylmethyl] 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid [(2,6-dinitro-3-pyrrolidino-phenyl)-phenyl-methyl] ester Formula: C19H16Cl3N3O6 MolecularWeight: 488.70584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)OC(=O)C(Cl)(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)OC(=O)C(Cl)(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16Cl3N3O6/c20-19(21,22)18(26)31-17(12-6-2-1-3-7-12)15-13(24(27)28)8-9-14(16(15)25(29)30)23-10-4-5-11-23/h1-3,6-9,17H,4-5,10-11H2