(E)-5-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methylamino]-5-oxidanylidene-pent-2-enoic acid

Systemtic Name: (E)-5-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methylamino]-5-oxidanylidene-pent-2-enoic acid Openeye Name: (E)-5-[[2-(3-fluorophenoxy)-3-pyridyl]methylamino]-5-oxo-pent-2-enoic acid CAS Name: (E)-5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-5-oxo-2-pentenoic acid IUPAC Name: (E)-5-[[2-(3-fluorophenoxy)pyridin-3-yl]methylamino]-5-oxopent-2-enoic acid Traditional Name: (E)-5-[[2-(3-fluorophenoxy)-3-pyridyl]methylamino]-5-keto-pent-2-enoic acid Formula: C17H15FN2O4 MolecularWeight: 330.310403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)OC2=C(C=CC=N2)CNC(=O)CC=CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)OC2=C(C=CC=N2)CNC(=O)C/C=C/C(=O)O

InChI

InChI=1S/C17H15FN2O4/c18-13-5-1-6-14(10-13)24-17-12(4-3-9-19-17)11-20-15(21)7-2-8-16(22)23/h1-6,8-10H,7,11H2,(H,20,21)(H,22,23)/b8-2+