[3-(trifluoromethyl)phenyl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C19H17F3N2O4 MolecularWeight: 394.34449

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N2O4/c20-19(21,22)15-5-3-4-13(10-15)12-28-18(25)14-6-7-16(17(11-14)24(26)27)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9,12H2