[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C16H9BrClF3N2O5 MolecularWeight: 481.60527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrClF3N2O5/c17-8-1-3-12(18)10(5-8)15(25)28-7-14(24)22-13-4-2-9(23(26)27)6-11(13)16(19,20)21/h1-6H,7H2,(H,22,24)