(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)acrylonitrile Formula: C20H14ClNO3 MolecularWeight: 351.78306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClNO3/c1-3-9-25-20-17(21)11-14(12-18(20)24-2)10-16(13-22)19(23)15-7-5-4-6-8-15/h1,4-8,10-12H,9H2,2H3/b16-10+