[2-(2-cyanoethynyl)phenyl] 3,4-diacetyloxybenzoate

Systemtic Name: [2-(2-cyanoethynyl)phenyl] 3,4-diacetyloxybenzoate Openeye Name: [2-(2-cyanoethynyl)phenyl] 3,4-diacetoxybenzoate CAS Name: 3,4-diacetyloxybenzoic acid [2-(2-cyanoethynyl)phenyl] ester IUPAC Name: [2-(2-cyanoethynyl)phenyl] 3,4-diacetyloxybenzoate Traditional Name: 3,4-diacetoxybenzoic acid [2-(2-cyanoethynyl)phenyl] ester Formula: C20H13NO6 MolecularWeight: 363.32032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C#CC#N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C#CC#N)OC(=O)C

InChI

InChI=1S/C20H13NO6/c1-13(22)25-18-10-9-16(12-19(18)26-14(2)23)20(24)27-17-8-4-3-6-15(17)7-5-11-21/h3-4,6,8-10,12H,1-2H3