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

Systemtic Name: 2-[2,6-bis(bromanyl)-4-nitro-3-(trifluoromethyl)phenyl]-3-phenyl-propanoate Openeye Name: 2-[2,6-dibromo-4-nitro-3-(trifluoromethyl)phenyl]-3-phenyl-propanoate CAS Name: 2-[2,6-dibromo-4-nitro-3-(trifluoromethyl)phenyl]-3-phenylpropanoate IUPAC Name: 2-[2,6-dibromo-4-nitro-3-(trifluoromethyl)phenyl]-3-phenylpropanoate Traditional Name: 2-[2,6-dibromo-4-nitro-3-(trifluoromethyl)phenyl]-3-phenyl-propionate Formula: C16H9Br2F3NO4- MolecularWeight: 496.05017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=C(C=C(C(=C2Br)C(F)(F)F)[N+](=O)[O-])Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=C(C=C(C(=C2Br)C(F)(F)F)[N+](=O)[O-])Br)C(=O)[O-]

InChI

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