4-[(3-azanyl-4-cyano-phenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[(3-azanyl-4-cyano-phenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[(3-amino-4-cyano-phenyl)methyl]-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[(3-amino-4-cyanophenyl)methyl]-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[(3-amino-4-cyanophenyl)methyl]-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-(3-amino-4-cyano-benzyl)-3-keto-piperazine-1-carboxylic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c14-6-10-2-1-9(5-11(10)15)7-16-3-4-17(13(19)20)8-12(16)18/h1-2,5H,3-4,7-8,15H2,(H,19,20)