6-[(4-acetyloxyphenoxy)methyl]-6-cyano-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-[(4-acetyloxyphenoxy)methyl]-6-cyano-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-[(4-acetoxyphenoxy)methyl]-6-cyano-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-[(4-acetyloxyphenoxy)methyl]-6-cyano-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-[(4-acetyloxyphenoxy)methyl]-6-cyanocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-[(4-acetoxyphenoxy)methyl]-6-cyano-cyclohexa-2,4-diene-1-carboxylic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)OCC2(C=CC=CC2C(=O)O)C#N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)OCC2(C=CC=CC2C(=O)O)C#N

InChI

InChI=1S/C17H15NO5/c1-12(19)23-14-7-5-13(6-8-14)22-11-17(10-18)9-3-2-4-15(17)16(20)21/h2-9,15H,11H2,1H3,(H,20,21)