butan-2-yl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: butan-2-yl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: sec-butyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid sec-butyl ester Formula: C18H15ClF3NO5 MolecularWeight: 417.76361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClF3NO5/c1-3-10(2)27-17(24)13-9-12(5-6-15(13)23(25)26)28-16-7-4-11(8-14(16)19)18(20,21)22/h4-10H,3H2,1-2H3