2-(4-azanyl-3-chloranyl-phenyl)-2-oxidanyl-propanedioic acid

Systemtic Name: 2-(4-azanyl-3-chloranyl-phenyl)-2-oxidanyl-propanedioic acid Openeye Name: 2-(4-amino-3-chloro-phenyl)-2-hydroxy-propanedioic acid CAS Name: 2-(4-amino-3-chlorophenyl)-2-hydroxypropanedioic acid IUPAC Name: 2-(4-amino-3-chlorophenyl)-2-hydroxypropanedioic acid Traditional Name: 2-(4-amino-3-chloro-phenyl)-2-hydroxy-malonic acid Formula: C9H8ClNO5 MolecularWeight: 245.61652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C(=O)O)(C(=O)O)O)Cl)N

Isomeric SMILES

C1=CC(=C(C=C1C(C(=O)O)(C(=O)O)O)Cl)N

InChI

InChI=1S/C9H8ClNO5/c10-5-3-4(1-2-6(5)11)9(16,7(12)13)8(14)15/h1-3,16H,11H2,(H,12,13)(H,14,15)