2-[4-(4-cyanophenyl)-3-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-cyanophenyl)-3-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-cyanophenyl)-3-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-(4-cyanophenyl)-3-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-cyanophenyl)-3-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-cyanophenyl)-3-keto-piperazino]acetic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC(=O)O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(C(=O)CN1CC(=O)O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H13N3O3/c14-7-10-1-3-11(4-2-10)16-6-5-15(8-12(16)17)9-13(18)19/h1-4H,5-6,8-9H2,(H,18,19)