[3-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)phenyl] pentanoate

Systemtic Name: [3-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)phenyl] pentanoate Openeye Name: [3-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)phenyl] pentanoate CAS Name: pentanoic acid [3-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl] ester IUPAC Name: [3-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)phenyl] pentanoate Traditional Name: valeric acid [3-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)phenyl] ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=CC(=C1)C=C(C#N)C(=O)OCC

Isomeric SMILES

CCCCC(=O)OC1=CC=CC(=C1)C=C(C#N)C(=O)OCC

InChI

InChI=1S/C17H19NO4/c1-3-5-9-16(19)22-15-8-6-7-13(11-15)10-14(12-18)17(20)21-4-2/h6-8,10-11H,3-5,9H2,1-2H3