3-(4-butoxy-2-oxidanyl-phenyl)carbonylbenzenecarbonitrile

Systemtic Name: 3-(4-butoxy-2-oxidanyl-phenyl)carbonylbenzenecarbonitrile Openeye Name: 3-(4-butoxy-2-hydroxy-benzoyl)benzonitrile CAS Name: 3-[(4-butoxy-2-hydroxyphenyl)-oxomethyl]benzonitrile IUPAC Name: 3-(4-butoxy-2-hydroxybenzoyl)benzonitrile Traditional Name: 3-(4-butoxy-2-hydroxy-benzoyl)benzonitrile Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC(=C2)C#N)O

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC(=C2)C#N)O

InChI

InChI=1S/C18H17NO3/c1-2-3-9-22-15-7-8-16(17(20)11-15)18(21)14-6-4-5-13(10-14)12-19/h4-8,10-11,20H,2-3,9H2,1H3