[4-chloranyl-2-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl] ethanoate

Systemtic Name: [4-chloranyl-2-[(E)-2-cyano-3-ethoxy-3-oxidanyl-prop-2-enoyl]phenyl] ethanoate Openeye Name: [4-chloro-2-[(E)-2-cyano-3-ethoxy-3-hydroxy-prop-2-enoyl]phenyl] acetate CAS Name: acetic acid [4-chloro-2-[(E)-2-cyano-3-ethoxy-3-hydroxy-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-chloro-2-[(E)-2-cyano-3-ethoxy-3-hydroxyprop-2-enoyl]phenyl] acetate Traditional Name: acetic acid [4-chloro-2-[(E)-2-cyano-3-ethoxy-3-hydroxy-acryloyl]phenyl] ester Formula: C14H12ClNO5 MolecularWeight: 309.70178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO/C(=C(\C#N)/C(=O)C1=C(C=CC(=C1)Cl)OC(=O)C)/O

InChI

InChI=1S/C14H12ClNO5/c1-3-20-14(19)11(7-16)13(18)10-6-9(15)4-5-12(10)21-8(2)17/h4-6,19H,3H2,1-2H3/b14-11+