(3-cyano-1-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-yl) propanoate

Systemtic Name: (3-cyano-1-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-yl) propanoate Openeye Name: (3-cyano-1-methoxy-6-oxo-cyclohexa-2,4-dien-1-yl) propanoate CAS Name: propanoic acid (3-cyano-1-methoxy-6-oxo-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (3-cyano-1-methoxy-6-oxocyclohexa-2,4-dien-1-yl) propanoate Traditional Name: propionic acid (3-cyano-6-keto-1-methoxy-cyclohexa-2,4-dien-1-yl) ester Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(C=C(C=CC1=O)C#N)OC

Isomeric SMILES

CCC(=O)OC1(C=C(C=CC1=O)C#N)OC

InChI

InChI=1S/C11H11NO4/c1-3-10(14)16-11(15-2)6-8(7-12)4-5-9(11)13/h4-6H,3H2,1-2H3