(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) 2-chloranyl-4-fluoranyl-5-nitro-benzoate

Systemtic Name: (1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) 2-chloranyl-4-fluoranyl-5-nitro-benzoate Openeye Name: (2-ethoxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-4-fluoro-5-nitro-benzoate CAS Name: 2-chloro-4-fluoro-5-nitrobenzoic acid (1-ethoxy-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-2-methyl-1-oxopropan-2-yl) 2-chloro-4-fluoro-5-nitrobenzoate Traditional Name: 2-chloro-4-fluoro-5-nitro-benzoic acid (2-ethoxy-2-keto-1,1-dimethyl-ethyl) ester Formula: C13H13ClFNO6 MolecularWeight: 333.696823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC(=O)C1=CC(=C(C=C1Cl)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)(C)OC(=O)C1=CC(=C(C=C1Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClFNO6/c1-4-21-12(18)13(2,3)22-11(17)7-5-10(16(19)20)9(15)6-8(7)14/h5-6H,4H2,1-3H3