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

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pentanoate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pentanoate CAS Name: pentanoic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] pentanoate Traditional Name: valeric acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)OCC)OC

InChI

InChI=1S/C18H21NO5/c1-4-6-7-17(20)24-15-9-8-13(11-16(15)22-3)10-14(12-19)18(21)23-5-2/h8-11H,4-7H2,1-3H3/b14-10+