4-oxidanylidene-4-(2,4,5-trimethoxyphenyl)butanenitrile

Systemtic Name: 4-oxidanylidene-4-(2,4,5-trimethoxyphenyl)butanenitrile Openeye Name: 4-oxo-4-(2,4,5-trimethoxyphenyl)butanenitrile CAS Name: 4-oxo-4-(2,4,5-trimethoxyphenyl)butanenitrile IUPAC Name: 4-oxo-4-(2,4,5-trimethoxyphenyl)butanenitrile Traditional Name: 4-asaryl-4-keto-butyronitrile Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)CCC#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)CCC#N)OC)OC

InChI

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