[2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-nitrobenzoate

Systemtic Name: [2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-nitrobenzoate Openeye Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester Formula: C14H6BrF3N2O6 MolecularWeight: 435.10645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H6BrF3N2O6/c15-10-5-8(14(16,17)18)6-11(20(24)25)12(10)26-13(21)7-1-3-9(4-2-7)19(22)23/h1-6H