(E)-3-[3-fluoranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-fluoranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-fluoro-4-(3-oxopiperazin-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-fluoro-4-(3-oxo-1-piperazinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-fluoro-4-(3-oxopiperazin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-fluoro-4-(3-ketopiperazino)phenyl]acrylic acid Formula: C13H13FN2O3 MolecularWeight: 264.252323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)C=CC(=O)O)F

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)/C=C/C(=O)O)F

InChI

InChI=1S/C13H13FN2O3/c14-10-7-9(2-4-13(18)19)1-3-11(10)16-6-5-15-12(17)8-16/h1-4,7H,5-6,8H2,(H,15,17)(H,18,19)/b4-2+