butyl 3-nitro-5-(trifluoromethyl)benzoate

Systemtic Name: butyl 3-nitro-5-(trifluoromethyl)benzoate Openeye Name: butyl 3-nitro-5-(trifluoromethyl)benzoate CAS Name: 3-nitro-5-(trifluoromethyl)benzoic acid butyl ester IUPAC Name: butyl 3-nitro-5-(trifluoromethyl)benzoate Traditional Name: 3-nitro-5-(trifluoromethyl)benzoic acid butyl ester Formula: C12H12F3NO4 MolecularWeight: 291.22319

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H12F3NO4/c1-2-3-4-20-11(17)8-5-9(12(13,14)15)7-10(6-8)16(18)19/h5-7H,2-4H2,1H3