4-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-chloro-2-hydroxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(5-chloro-2-hydroxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(5-chloro-2-hydroxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(5-chloro-2-hydroxy-benzyl)amino]-4-keto-butyric acid Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CNC(=O)CCC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)CNC(=O)CCC(=O)O)O

InChI

InChI=1S/C11H12ClNO4/c12-8-1-2-9(14)7(5-8)6-13-10(15)3-4-11(16)17/h1-2,5,14H,3-4,6H2,(H,13,15)(H,16,17)