[(2-nitro-5-pyrrolidin-1-yl-phenyl)-phenyl-methyl] 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: [(2-nitro-5-pyrrolidin-1-yl-phenyl)-phenyl-methyl] 2,2,2-tris(chloranyl)ethanoate Openeye Name: [(2-nitro-5-pyrrolidin-1-yl-phenyl)-phenyl-methyl] 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid [[2-nitro-5-(1-pyrrolidinyl)phenyl]-phenylmethyl] ester IUPAC Name: [(2-nitro-5-pyrrolidin-1-ylphenyl)-phenylmethyl] 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid [(2-nitro-5-pyrrolidino-phenyl)-phenyl-methyl] ester Formula: C19H17Cl3N2O4 MolecularWeight: 443.70828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl3N2O4/c20-19(21,22)18(25)28-17(13-6-2-1-3-7-13)15-12-14(23-10-4-5-11-23)8-9-16(15)24(26)27/h1-3,6-9,12,17H,4-5,10-11H2