(2E)-4-oxidanylidene-2-(piperazin-1-ylmethylidene)butanoic acid

Systemtic Name: (2E)-4-oxidanylidene-2-(piperazin-1-ylmethylidene)butanoic acid Openeye Name: (2E)-4-oxo-2-(piperazin-1-ylmethylene)butanoic acid CAS Name: (2E)-4-oxo-2-(1-piperazinylmethylidene)butanoic acid IUPAC Name: (2E)-4-oxo-2-(piperazin-1-ylmethylidene)butanoic acid Traditional Name: (E)-2-(2-ketoethyl)-3-piperazino-acrylic acid Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C=C(CC=O)C(=O)O

Isomeric SMILES

C1CN(CCN1)/C=C(\CC=O)/C(=O)O

InChI

InChI=1S/C9H14N2O3/c12-6-1-8(9(13)14)7-11-4-2-10-3-5-11/h6-7,10H,1-5H2,(H,13,14)/b8-7+