(E)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(2-chloro-6-fluorophenyl)methyl-methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-4-keto-but-2-enoic acid Formula: C12H11ClFNO3 MolecularWeight: 271.672043

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C=CC(=O)O

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H11ClFNO3/c1-15(11(16)5-6-12(17)18)7-8-9(13)3-2-4-10(8)14/h2-6H,7H2,1H3,(H,17,18)/b6-5+