(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[oxo-(4-propylphenyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-propylbenzoyl)acrylonitrile Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C(=C2)Br)O)OC)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)OC)/C#N

InChI

InChI=1S/C20H18BrNO3/c1-3-4-13-5-7-15(8-6-13)19(23)16(12-22)9-14-10-17(21)20(24)18(11-14)25-2/h5-11,24H,3-4H2,1-2H3/b16-9+