4-[(4-cyanophenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[(4-cyanophenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[(4-cyanophenyl)methyl]-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[(4-cyanophenyl)methyl]-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[(4-cyanophenyl)methyl]-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-(4-cyanobenzyl)-3-keto-piperazine-1-carboxylic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(C(=O)CN1C(=O)O)CC2=CC=C(C=C2)C#N

InChI

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