2-fluoranylbutanoyl 3-chloranyl-4-fluoranyl-5-nitro-benzoate

Systemtic Name: 2-fluoranylbutanoyl 3-chloranyl-4-fluoranyl-5-nitro-benzoate Openeye Name: 2-fluorobutanoyl 3-chloro-4-fluoro-5-nitro-benzoate CAS Name: 3-chloro-4-fluoro-5-nitrobenzoic acid (2-fluoro-1-oxobutyl) ester IUPAC Name: 2-fluorobutanoyl 3-chloro-4-fluoro-5-nitrobenzoate Traditional Name: 3-chloro-4-fluoro-5-nitro-benzoic acid 2-fluorobutanoyl ester Formula: C11H8ClF2NO5 MolecularWeight: 307.634726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClF2NO5/c1-2-7(13)11(17)20-10(16)5-3-6(12)9(14)8(4-5)15(18)19/h3-4,7H,2H2,1H3