[2-bromanyl-4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] 2-fluoranylbenzoate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-6-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-bromo-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-6-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-bromo-4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-6-methoxy-phenyl] ester Formula: C20H15BrFNO5 MolecularWeight: 448.239203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)OC(=O)C2=CC=CC=C2F)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C(=C1)Br)OC(=O)C2=CC=CC=C2F)OC)/C#N

InChI

InChI=1S/C20H15BrFNO5/c1-3-27-19(24)13(11-23)8-12-9-15(21)18(17(10-12)26-2)28-20(25)14-6-4-5-7-16(14)22/h4-10H,3H2,1-2H3/b13-8+