3-(4-methanoyl-3-methoxy-phenyl)-3-methyl-butanenitrile

Systemtic Name: 3-(4-methanoyl-3-methoxy-phenyl)-3-methyl-butanenitrile Openeye Name: 3-(4-formyl-3-methoxy-phenyl)-3-methyl-butanenitrile CAS Name: 3-(4-formyl-3-methoxyphenyl)-3-methylbutanenitrile IUPAC Name: 3-(4-formyl-3-methoxyphenyl)-3-methylbutanenitrile Traditional Name: 3-(4-formyl-3-methoxy-phenyl)-3-methyl-butyronitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-13(2,6-7-14)11-5-4-10(9-15)12(8-11)16-3/h4-5,8-9H,6H2,1-3H3