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

Systemtic Name: (E)-4-[(2-fluorophenyl)-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-fluoro-N-(3-pyridylmethyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-fluoro-N-(3-pyridinylmethyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-fluoro-N-(pyridin-3-ylmethyl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-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=C(C(=C1)N(CC2=CN=CC=C2)C(=O)C=CC(=O)O)F

Isomeric SMILES

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

InChI

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