3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)benzenecarbonitrile

Systemtic Name: 3-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)benzenecarbonitrile Openeye Name: 3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)benzonitrile CAS Name: 3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)benzonitrile IUPAC Name: 3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)benzonitrile Traditional Name: 3-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)benzonitrile Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OC2=CC=CC(=C2)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H15NO3/c1-3-13-8-15(11(2)19)16(20)9-17(13)21-14-6-4-5-12(7-14)10-18/h4-9,20H,3H2,1-2H3