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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-chlorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-chlorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(4-chlorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-chlorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-chlorobenzoyl)acrylonitrile Formula: C17H11BrClNO3 MolecularWeight: 392.63114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrClNO3/c1-23-15-8-10(7-14(18)17(15)22)6-12(9-20)16(21)11-2-4-13(19)5-3-11/h2-8,22H,1H3/b12-6+