4-oxidanylidene-4-(2,3,4-trimethoxyphenyl)butanenitrile

Systemtic Name: 4-oxidanylidene-4-(2,3,4-trimethoxyphenyl)butanenitrile Openeye Name: 4-oxo-4-(2,3,4-trimethoxyphenyl)butanenitrile CAS Name: 4-oxo-4-(2,3,4-trimethoxyphenyl)butanenitrile IUPAC Name: 4-oxo-4-(2,3,4-trimethoxyphenyl)butanenitrile Traditional Name: 4-keto-4-(2,3,4-trimethoxyphenyl)butyronitrile Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-16-11-7-6-9(10(15)5-4-8-14)12(17-2)13(11)18-3/h6-7H,4-5H2,1-3H3