4-[4-chloranyl-3-(2-chloranylethanoylamino)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-chloranyl-3-(2-chloranylethanoylamino)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-chloro-3-[(2-chloro-1-oxoethyl)amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]piperazine-1-carboxylic acid Formula: C13H15Cl2N3O3 MolecularWeight: 332.1825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2N3O3/c14-8-12(19)16-11-7-9(1-2-10(11)15)17-3-5-18(6-4-17)13(20)21/h1-2,7H,3-6,8H2,(H,16,19)(H,20,21)