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

Systemtic Name: (E)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-propan-2-yl-amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(2-chloro-6-fluoro-phenyl)methyl-isopropyl-amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[(2-chloro-6-fluorophenyl)methyl-propan-2-ylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(2-chloro-6-fluoro-benzyl)-isopropyl-amino]-4-keto-but-2-enoate Formula: C14H14ClFNO3- MolecularWeight: 298.717263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClFNO3/c1-9(2)17(13(18)6-7-14(19)20)8-10-11(15)4-3-5-12(10)16/h3-7,9H,8H2,1-2H3,(H,19,20)/p-1/b7-6+