[3-acetyloxy-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-nitro-phenyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-nitro-phenyl] ethanoate Openeye Name: [3-acetoxy-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-nitro-phenyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]-4-nitrophenyl] ester IUPAC Name: [3-acetyloxy-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-nitrophenyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-nitro-phenyl] ester Formula: C19H12F6N2O7 MolecularWeight: 494.298199

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C=C1)[N+](=O)[O-])OC(=O)C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)OC1=C(C(=C(C=C1)[N+](=O)[O-])OC(=O)C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H12F6N2O7/c1-8(28)33-14-4-3-13(27(31)32)16(34-9(2)29)15(14)17(30)26-12-6-10(18(20,21)22)5-11(7-12)19(23,24)25/h3-7H,1-2H3,(H,26,30)