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

Systemtic Name: (E)-4-[(3-fluorophenyl)-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[3-fluoro-N-(3-pyridylmethyl)anilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[3-fluoro-N-(3-pyridinylmethyl)anilino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[3-fluoro-N-(pyridin-3-ylmethyl)anilino]-4-oxobut-2-enoate Traditional Name: (E)-4-[3-fluoro-N-(3-pyridylmethyl)anilino]-4-keto-but-2-enoate Formula: C16H12FN2O3- MolecularWeight: 299.276483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)N(CC2=CN=CC=C2)C(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)N(CC2=CN=CC=C2)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C16H13FN2O3/c17-13-4-1-5-14(9-13)19(15(20)6-7-16(21)22)11-12-3-2-8-18-10-12/h1-10H,11H2,(H,21,22)/p-1/b7-6+