[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C18H14BrF3N2O5 MolecularWeight: 475.21337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrF3N2O5/c1-10(17(26)29-9-16(25)11-2-5-13(19)6-3-11)23-14-7-4-12(18(20,21)22)8-15(14)24(27)28/h2-8,10,23H,9H2,1H3