2-(2,4,5-trimethoxyphenyl)carbonylbutanenitrile

Systemtic Name: 2-(2,4,5-trimethoxyphenyl)carbonylbutanenitrile Openeye Name: 2-(2,4,5-trimethoxybenzoyl)butanenitrile CAS Name: 2-[oxo-(2,4,5-trimethoxyphenyl)methyl]butanenitrile IUPAC Name: 2-(2,4,5-trimethoxybenzoyl)butanenitrile Traditional Name: 2-(2,4,5-trimethoxybenzoyl)butyronitrile Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C(=O)C1=CC(=C(C=C1OC)OC)OC

Isomeric SMILES

CCC(C#N)C(=O)C1=CC(=C(C=C1OC)OC)OC

InChI

InChI=1S/C14H17NO4/c1-5-9(8-15)14(16)10-6-12(18-3)13(19-4)7-11(10)17-2/h6-7,9H,5H2,1-4H3