4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanenitrile

Systemtic Name: 4-oxidanylidene-4-(3,4,5-trimethoxyphenyl)butanenitrile Openeye Name: 4-oxo-4-(3,4,5-trimethoxyphenyl)butanenitrile CAS Name: 4-oxo-4-(3,4,5-trimethoxyphenyl)butanenitrile IUPAC Name: 4-oxo-4-(3,4,5-trimethoxyphenyl)butanenitrile Traditional Name: 4-keto-4-(3,4,5-trimethoxyphenyl)butyronitrile Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CCC#N

InChI

InChI=1S/C13H15NO4/c1-16-11-7-9(10(15)5-4-6-14)8-12(17-2)13(11)18-3/h7-8H,4-5H2,1-3H3