(E)-4-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-yl]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-yl]but-2-enoic acid Openeye Name: (E)-4-(4-benzoylpiperazin-1-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-benzoyl-1-piperazinyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-benzoylpiperazin-1-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-benzoylpiperazino)-4-keto-but-2-enoic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O4/c18-13(6-7-14(19)20)16-8-10-17(11-9-16)15(21)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,19,20)/b7-6+