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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H12BrF3N2O5 MolecularWeight: 461.18679

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C17H12BrF3N2O5/c18-12-4-1-10(2-5-12)15(24)9-28-16(25)8-22-13-6-3-11(17(19,20)21)7-14(13)23(26)27/h1-7,22H,8-9H2