4-(2-methyl-1-oxidanyl-but-3-enyl)benzenecarbonitrile

Systemtic Name: 4-(2-methyl-1-oxidanyl-but-3-enyl)benzenecarbonitrile Openeye Name: 4-(1-hydroxy-2-methyl-but-3-enyl)benzonitrile CAS Name: 4-(1-hydroxy-2-methylbut-3-enyl)benzonitrile IUPAC Name: 4-(1-hydroxy-2-methylbut-3-enyl)benzonitrile Traditional Name: 4-(1-hydroxy-2-methyl-but-3-enyl)benzonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-3-9(2)12(14)11-6-4-10(8-13)5-7-11/h3-7,9,12,14H,1H2,2H3