2-[[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]ethanoate

Systemtic Name: 2-[[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]ethanoate Openeye Name: 2-[[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]acetate IUPAC Name: 2-[[(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-cyano-acryloyl]amino]acetate Formula: C12H8ClN2O4- MolecularWeight: 279.65592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C=C(C#N)C(=O)NCC(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1Cl)/C=C(\C#N)/C(=O)NCC(=O)[O-])O

InChI

InChI=1S/C12H9ClN2O4/c13-9-1-2-10(16)7(4-9)3-8(5-14)12(19)15-6-11(17)18/h1-4,16H,6H2,(H,15,19)(H,17,18)/p-1/b8-3+