4-(3-chloranyl-4-methanoyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-chloranyl-4-methanoyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(3-chloro-4-formyl-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-chloro-4-formylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-chloro-4-formylphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-chloro-4-formyl-phenyl)piperazine-1-carboxylic acid Formula: C12H13ClN2O3 MolecularWeight: 268.69622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O3/c13-11-7-10(2-1-9(11)8-16)14-3-5-15(6-4-14)12(17)18/h1-2,7-8H,3-6H2,(H,17,18)