[(2Z)-2-(ethoxymethylidene)butanoyl] 4-chloranyl-5-fluoranyl-2-nitro-benzoate

Systemtic Name: [(2Z)-2-(ethoxymethylidene)butanoyl] 4-chloranyl-5-fluoranyl-2-nitro-benzoate Openeye Name: [(2Z)-2-(ethoxymethylene)butanoyl] 4-chloro-5-fluoro-2-nitro-benzoate CAS Name: 4-chloro-5-fluoro-2-nitrobenzoic acid [(2Z)-2-(ethoxymethylidene)-1-oxobutyl] ester IUPAC Name: [(2Z)-2-(ethoxymethylidene)butanoyl] 4-chloro-5-fluoro-2-nitrobenzoate Traditional Name: 4-chloro-5-fluoro-2-nitro-benzoic acid [(Z)-3-ethoxy-2-ethyl-acryloyl] ester Formula: C14H13ClFNO6 MolecularWeight: 345.707523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClFNO6/c1-3-8(7-22-4-2)13(18)23-14(19)9-5-11(16)10(15)6-12(9)17(20)21/h5-7H,3-4H2,1-2H3/b8-7-