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

Systemtic Name: 4-(2-carboxy-4-chloranyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(2-carboxy-4-chloro-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(2-carboxy-4-chlorophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2-carboxy-4-chlorophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(2-carboxy-4-chloro-phenyl)piperazine-1-carboxylic acid Formula: C12H13ClN2O4 MolecularWeight: 284.69562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O4/c13-8-1-2-10(9(7-8)11(16)17)14-3-5-15(6-4-14)12(18)19/h1-2,7H,3-6H2,(H,16,17)(H,18,19)