4-methoxy-3-(2-methyl-1-oxidanylidene-propan-2-yl)benzenecarbonitrile

Systemtic Name: 4-methoxy-3-(2-methyl-1-oxidanylidene-propan-2-yl)benzenecarbonitrile Openeye Name: 3-(1,1-dimethyl-2-oxo-ethyl)-4-methoxy-benzonitrile CAS Name: 4-methoxy-3-(2-methyl-1-oxopropan-2-yl)benzonitrile IUPAC Name: 4-methoxy-3-(2-methyl-1-oxopropan-2-yl)benzonitrile Traditional Name: 3-(2-keto-1,1-dimethyl-ethyl)-4-methoxy-benzonitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-12(2,8-14)10-6-9(7-13)4-5-11(10)15-3/h4-6,8H,1-3H3