3-chloranylpropyl 2-cyano-2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: 3-chloranylpropyl 2-cyano-2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: 3-chloropropyl 2-cyano-2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-cyano-2-(3,4-dimethoxyphenyl)acetic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 2-cyano-2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-cyano-2-(3,4-dimethoxyphenyl)acetic acid 3-chloropropyl ester Formula: C14H16ClNO4 MolecularWeight: 297.73414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO4/c1-18-12-5-4-10(8-13(12)19-2)11(9-16)14(17)20-7-3-6-15/h4-5,8,11H,3,6-7H2,1-2H3