[2,6-bis(bromanyl)-4-nitro-3-(trifluoromethyl)phenyl] 3-phenylpropanoate

Systemtic Name: [2,6-bis(bromanyl)-4-nitro-3-(trifluoromethyl)phenyl] 3-phenylpropanoate Openeye Name: [2,6-dibromo-4-nitro-3-(trifluoromethyl)phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2,6-dibromo-4-nitro-3-(trifluoromethyl)phenyl] ester IUPAC Name: [2,6-dibromo-4-nitro-3-(trifluoromethyl)phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2,6-dibromo-4-nitro-3-(trifluoromethyl)phenyl] ester Formula: C16H10Br2F3NO4 MolecularWeight: 497.05811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C(=C2Br)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C(=C2Br)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C16H10Br2F3NO4/c17-10-8-11(22(24)25)13(16(19,20)21)14(18)15(10)26-12(23)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2