3-oxidanylidene-2-(3,4,5-trimethoxyphenyl)propanenitrile

Systemtic Name: 3-oxidanylidene-2-(3,4,5-trimethoxyphenyl)propanenitrile Openeye Name: 3-oxo-2-(3,4,5-trimethoxyphenyl)propanenitrile CAS Name: 3-oxo-2-(3,4,5-trimethoxyphenyl)propanenitrile IUPAC Name: 3-oxo-2-(3,4,5-trimethoxyphenyl)propanenitrile Traditional Name: 3-keto-2-(3,4,5-trimethoxyphenyl)propionitrile Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-15-10-4-8(9(6-13)7-14)5-11(16-2)12(10)17-3/h4-5,7,9H,1-3H3