[4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-2-(4-pyridyl)vinyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-2-pyridin-4-ylethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-pyridin-4-ylethenyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-2-(4-pyridyl)vinyl]phenyl] ester Formula: C20H14BrNO2 MolecularWeight: 380.23466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)C=CC3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C20H14BrNO2/c21-18-3-1-2-17(14-18)20(23)24-19-8-6-15(7-9-19)4-5-16-10-12-22-13-11-16/h1-14H/b5-4+