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

Systemtic Name: (E)-3-[2-(3-oxidanylidenepiperazin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3-oxopiperazin-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(3-oxo-1-piperazinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-oxopiperazin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3-ketopiperazino)phenyl]acrylic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=CC=C2C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c16-12-9-15(8-7-14-12)11-4-2-1-3-10(11)5-6-13(17)18/h1-6H,7-9H2,(H,14,16)(H,17,18)/b6-5+