2-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[(E)-3-(3-chloro-4-fluoro-phenyl)acryloyl]amino]-3-hydroxy-propionic acid Formula: C12H11ClFNO4 MolecularWeight: 287.671443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)NC(CO)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)NC(CO)C(=O)O)Cl)F

InChI

InChI=1S/C12H11ClFNO4/c13-8-5-7(1-3-9(8)14)2-4-11(17)15-10(6-16)12(18)19/h1-5,10,16H,6H2,(H,15,17)(H,18,19)/b4-2+