5-cyano-2-(prop-2-enoxycarbonyloxymethyl)benzoic acid

Systemtic Name: 5-cyano-2-(prop-2-enoxycarbonyloxymethyl)benzoic acid Openeye Name: 2-(allyloxycarbonyloxymethyl)-5-cyano-benzoic acid CAS Name: 5-cyano-2-[[oxo(prop-2-enoxy)methoxy]methyl]benzoic acid IUPAC Name: 5-cyano-2-(prop-2-enoxycarbonyloxymethyl)benzoic acid Traditional Name: 2-(allyloxycarbonyloxymethyl)-5-cyano-benzoic acid Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)OCC1=C(C=C(C=C1)C#N)C(=O)O

Isomeric SMILES

C=CCOC(=O)OCC1=C(C=C(C=C1)C#N)C(=O)O

InChI

InChI=1S/C13H11NO5/c1-2-5-18-13(17)19-8-10-4-3-9(7-14)6-11(10)12(15)16/h2-4,6H,1,5,8H2,(H,15,16)