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butyl 2-nitro-4-(trifluoromethyl)benzoate

butyl 2-nitro-4-(trifluoromethyl)benzoate

Systemtic Name:butyl 2-nitro-4-(trifluoromethyl)benzoate
Openeye Name:butyl 2-nitro-4-(trifluoromethyl)benzoate
CAS Name:2-nitro-4-(trifluoromethyl)benzoic acid butyl ester
IUPAC Name:butyl 2-nitro-4-(trifluoromethyl)benzoate
Traditional Name:2-nitro-4-(trifluoromethyl)benzoic acid butyl ester
Formula: C12H12F3NO4
MolecularWeight: 291.22319
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H12F3NO4/c1-2-3-6-20-11(17)9-5-4-8(12(13,14)15)7-10(9)16(18)19/h4-5,7H,2-3,6H2,1H3


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