(E)-4-[(3-fluorophenyl)-(pyridin-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-fluorophenyl)-(pyridin-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-fluoro-N-(2-pyridylmethyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-fluoro-N-(2-pyridinylmethyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-fluoro-N-(pyridin-2-ylmethyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-fluoro-N-(2-pyridylmethyl)anilino]-4-keto-but-2-enoic acid Formula: C16H13FN2O3 MolecularWeight: 300.284423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=CC(=CC=C2)F)C(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=CC(=CC=C2)F)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H13FN2O3/c17-12-4-3-6-14(10-12)19(15(20)7-8-16(21)22)11-13-5-1-2-9-18-13/h1-10H,11H2,(H,21,22)/b8-7+