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

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN2O3/c17-13-2-1-3-14(10-13)19(15(20)4-5-16(21)22)11-12-6-8-18-9-7-12/h1-10H,11H2,(H,21,22)/b5-4+