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

Systemtic Name: [3-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)phenyl] pentanoate Openeye Name: [3-(2-cyano-3-methoxy-3-oxo-prop-1-enyl)phenyl] pentanoate CAS Name: pentanoic acid [3-(2-cyano-3-methoxy-3-oxoprop-1-enyl)phenyl] ester IUPAC Name: [3-(2-cyano-3-methoxy-3-oxoprop-1-enyl)phenyl] pentanoate Traditional Name: valeric acid [3-(2-cyano-3-keto-3-methoxy-prop-1-enyl)phenyl] ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-3-4-8-15(18)21-14-7-5-6-12(10-14)9-13(11-17)16(19)20-2/h5-7,9-10H,3-4,8H2,1-2H3