ethyl 3-cyano-3-(3-oxidanylidenecyclohexa-1,5-dien-1-yl)propanoate

Systemtic Name: ethyl 3-cyano-3-(3-oxidanylidenecyclohexa-1,5-dien-1-yl)propanoate Openeye Name: ethyl 3-cyano-3-(3-oxocyclohexa-1,5-dien-1-yl)propanoate CAS Name: 3-cyano-3-(3-oxo-1-cyclohexa-1,5-dienyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-cyano-3-(3-oxocyclohexa-1,5-dien-1-yl)propanoate Traditional Name: 3-cyano-3-(3-ketocyclohexa-1,5-dien-1-yl)propionic acid ethyl ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-2-16-12(15)7-10(8-13)9-4-3-5-11(14)6-9/h3-4,6,10H,2,5,7H2,1H3