(E)-4-[(2-fluorophenyl)-piperazin-1-yl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(2-fluorophenyl)-piperazin-1-yl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2-fluoro-N-piperazin-1-yl-anilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-fluoro-N-(1-piperazinyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2-fluoro-N-piperazin-1-ylanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(2-fluoro-N-piperazino-anilino)-4-keto-but-2-enoic acid Formula: C14H16FN3O3 MolecularWeight: 293.293543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)N(C2=CC=CC=C2F)C(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1)N(C2=CC=CC=C2F)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H16FN3O3/c15-11-3-1-2-4-12(11)18(13(19)5-6-14(20)21)17-9-7-16-8-10-17/h1-6,16H,7-10H2,(H,20,21)/b6-5+