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

Systemtic Name: [(2,6-dinitro-3-piperidin-1-yl-phenyl)-phenyl-methyl] 2,2,2-tris(chloranyl)ethanoate Openeye Name: [[2,6-dinitro-3-(1-piperidyl)phenyl]-phenyl-methyl] 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid [[2,6-dinitro-3-(1-piperidinyl)phenyl]-phenylmethyl] ester IUPAC Name: [(2,6-dinitro-3-piperidin-1-ylphenyl)-phenylmethyl] 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid [(2,6-dinitro-3-piperidino-phenyl)-phenyl-methyl] ester Formula: C20H18Cl3N3O6 MolecularWeight: 502.73242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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(CC1)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/C20H18Cl3N3O6/c21-20(22,23)19(27)32-18(13-7-3-1-4-8-13)16-14(25(28)29)9-10-15(17(16)26(30)31)24-11-5-2-6-12-24/h1,3-4,7-10,18H,2,5-6,11-12H2