ethyl 2-[(3E,5Z)-7-oxidanylhepta-3,5-dien-1-ynyl]-1,3-oxazole-4-carboxylate

Systemtic Name: ethyl 2-[(3E,5Z)-7-oxidanylhepta-3,5-dien-1-ynyl]-1,3-oxazole-4-carboxylate Openeye Name: ethyl 2-[(3E,5Z)-7-hydroxyhepta-3,5-dien-1-ynyl]oxazole-4-carboxylate CAS Name: 2-[(3E,5Z)-7-hydroxyhepta-3,5-dien-1-ynyl]-4-oxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3E,5Z)-7-hydroxyhepta-3,5-dien-1-ynyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[(3E,5Z)-7-hydroxyhepta-3,5-dien-1-ynyl]oxazole-4-carboxylic acid ethyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=COC(=N1)C#CC=CC=CCO

Isomeric SMILES

CCOC(=O)C1=COC(=N1)C#C/C=C/C=C\CO

InChI

InChI=1S/C13H13NO4/c1-2-17-13(16)11-10-18-12(14-11)8-6-4-3-5-7-9-15/h3-5,7,10,15H,2,9H2,1H3/b4-3+,7-5-