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

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(4-hydroxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(4-hydroxy-3-methoxy-phenyl)acrylonitrile Formula: C17H12ClNO3 MolecularWeight: 313.73508

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO3/c1-22-16-9-11(2-7-15(16)20)8-13(10-19)17(21)12-3-5-14(18)6-4-12/h2-9,20H,1H3/b13-8+