[2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-methoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-methoxy-4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C21H15ClFNO3 MolecularWeight: 383.800103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=NC=C2)OC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=CC=NC=C2)OC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H15ClFNO3/c1-26-19-13-15(6-5-14-9-11-24-12-10-14)7-8-18(19)27-21(25)20-16(22)3-2-4-17(20)23/h2-13H,1H3/b6-5+