[2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester Formula: C14H5BrClF3N2O6 MolecularWeight: 469.55151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OC2=C(C=C(C=C2Br)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OC2=C(C=C(C=C2Br)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C14H5BrClF3N2O6/c15-8-4-7(14(17,18)19)5-11(21(25)26)12(8)27-13(22)6-1-2-9(16)10(3-6)20(23)24/h1-5H