4-(4-chloranyl-2-cyano-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(4-chloranyl-2-cyano-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(4-chloro-2-cyano-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(4-chloro-2-cyanophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(4-chloro-2-cyanophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(4-chloro-2-cyano-phenyl)piperazine-1-carboxylic acid Formula: C12H12ClN3O2 MolecularWeight: 265.69558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)C#N)C(=O)O

InChI

InChI=1S/C12H12ClN3O2/c13-10-1-2-11(9(7-10)8-14)15-3-5-16(6-4-15)12(17)18/h1-2,7H,3-6H2,(H,17,18)