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

Systemtic Name: (E)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-ethyl-amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(2-chloro-6-fluoro-phenyl)methyl-ethyl-amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(2-chloro-6-fluoro-benzyl)-ethyl-amino]-4-keto-but-2-enoate Formula: C13H12ClFNO3- MolecularWeight: 284.690683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC=C1Cl)F)C(=O)C=CC(=O)[O-]

Isomeric SMILES

CCN(CC1=C(C=CC=C1Cl)F)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H13ClFNO3/c1-2-16(12(17)6-7-13(18)19)8-9-10(14)4-3-5-11(9)15/h3-7H,2,8H2,1H3,(H,18,19)/p-1/b7-6+