[4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H18FNO5 MolecularWeight: 383.369723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)F)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18FNO5/c1-13(2)27-21(25)16(12-23)10-14-4-9-18(19(11-14)26-3)28-20(24)15-5-7-17(22)8-6-15/h4-11,13H,1-3H3/b16-10+