(E)-4-[2-(3-fluorophenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-(3-fluorophenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(3-fluorophenyl)ethylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-(3-fluorophenyl)ethylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(3-fluorophenyl)ethylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-(3-fluorophenyl)ethylamino]-4-keto-but-2-enoic acid Formula: C12H12FNO3 MolecularWeight: 237.226983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CCNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H12FNO3/c13-10-3-1-2-9(8-10)6-7-14-11(15)4-5-12(16)17/h1-5,8H,6-7H2,(H,14,15)(H,16,17)/b5-4+