(E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)acrylonitrile Formula: C18H14ClNO3 MolecularWeight: 327.76166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2)Cl)O

InChI

InChI=1S/C18H14ClNO3/c1-2-23-16-10-12(9-15(19)18(16)22)8-14(11-20)17(21)13-6-4-3-5-7-13/h3-10,22H,2H2,1H3/b14-8+