4-[(2-chloranyl-5-oxidanyl-phenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-5-oxidanyl-phenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[(2-chloro-5-hydroxy-phenyl)methyl]-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[(2-chloro-5-hydroxyphenyl)methyl]-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[(2-chloro-5-hydroxyphenyl)methyl]-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-(2-chloro-5-hydroxy-benzyl)-3-keto-piperazine-1-carboxylic acid Formula: C12H13ClN2O4 MolecularWeight: 284.69562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)O)CC2=C(C=CC(=C2)O)Cl

Isomeric SMILES

C1CN(C(=O)CN1C(=O)O)CC2=C(C=CC(=C2)O)Cl

InChI

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