3-[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enenitrile

Systemtic Name: 3-[3-bromanyl-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enenitrile Openeye Name: 3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enenitrile CAS Name: 3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]-2-propenenitrile IUPAC Name: 3-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile Traditional Name: 3-[3-bromo-4-(3-fluorobenzyl)oxy-5-methoxy-phenyl]acrylonitrile Formula: C17H13BrFNO2 MolecularWeight: 362.193023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC#N)Br)OCC2=CC(=CC=C2)F

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC#N)Br)OCC2=CC(=CC=C2)F

InChI

InChI=1S/C17H13BrFNO2/c1-21-16-10-12(5-3-7-20)9-15(18)17(16)22-11-13-4-2-6-14(19)8-13/h2-6,8-10H,11H2,1H3