(Z)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-pyridin-3-yl-prop-2-enenitrile

Systemtic Name: (Z)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-pyridin-3-yl-prop-2-enenitrile Openeye Name: (Z)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(3-pyridyl)prop-2-enenitrile CAS Name: (Z)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-pyridinyl)-2-propenenitrile IUPAC Name: (Z)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile Traditional Name: (Z)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(3-pyridyl)acrylonitrile Formula: C15H11BrN2O2 MolecularWeight: 331.16404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CN=CC=C2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=CN=CC=C2)Br)O

InChI

InChI=1S/C15H11BrN2O2/c1-20-14-7-10(6-13(16)15(14)19)5-12(8-17)11-3-2-4-18-9-11/h2-7,9,19H,1H3/b12-5+