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

Systemtic Name: (2S)-2-[[(E)-3-(5-chloranyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]propanoate Openeye Name: (2S)-2-[[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: (2S)-2-[[(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-(5-chloro-2-hydroxy-phenyl)-2-cyano-acryloyl]amino]propionate Formula: C13H10ClN2O4- MolecularWeight: 293.6825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C(=CC1=C(C=CC(=C1)Cl)O)C#N

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)/C(=C/C1=C(C=CC(=C1)Cl)O)/C#N

InChI

InChI=1S/C13H11ClN2O4/c1-7(13(19)20)16-12(18)9(6-15)4-8-5-10(14)2-3-11(8)17/h2-5,7,17H,1H3,(H,16,18)(H,19,20)/p-1/b9-4+/t7-/m0/s1