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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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