2-[(E)-5-(2-fluorophenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl 3-cyanobenzoate

Systemtic Name: 2-[(E)-5-(2-fluorophenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl 3-cyanobenzoate Openeye Name: 2-[(E)-5-(2-fluorophenyl)-3-oxo-pent-4-enoyl]oxyethyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid 2-[(E)-5-(2-fluorophenyl)-1,3-dioxopent-4-enoxy]ethyl ester IUPAC Name: 2-[(E)-5-(2-fluorophenyl)-3-oxopent-4-enoyl]oxyethyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid 2-[(E)-5-(2-fluorophenyl)-3-keto-pent-4-enoyl]oxyethyl ester Formula: C21H16FNO5 MolecularWeight: 381.353843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)CC(=O)OCCOC(=O)C2=CC=CC(=C2)C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)CC(=O)OCCOC(=O)C2=CC=CC(=C2)C#N)F

InChI

InChI=1S/C21H16FNO5/c22-19-7-2-1-5-16(19)8-9-18(24)13-20(25)27-10-11-28-21(26)17-6-3-4-15(12-17)14-23/h1-9,12H,10-11,13H2/b9-8+