4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanenitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-4-oxo-butanenitrile CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanenitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyronitrile Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC#N)OC

InChI

InChI=1S/C12H13NO3/c1-15-11-6-5-9(8-12(11)16-2)10(14)4-3-7-13/h5-6,8H,3-4H2,1-2H3