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

Systemtic Name: 3-oxidanylidene-3-(3,4,5-trimethoxyphenyl)propanenitrile Openeye Name: 3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile CAS Name: 3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile IUPAC Name: 3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile Traditional Name: 3-keto-3-(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(=O)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-15-10-6-8(9(14)4-5-13)7-11(16-2)12(10)17-3/h6-7H,4H2,1-3H3