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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-tert-butylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-tert-butylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(4-tert-butylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-tert-butylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-tert-butylbenzoyl)acrylonitrile Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO3/c1-21(2,3)16-7-5-14(6-8-16)19(24)15(12-23)9-13-10-17(22)20(25)18(11-13)26-4/h5-11,25H,1-4H3/b15-9+