4-[2-(5-chloranyl-2-oxidanyl-phenyl)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-(5-chloranyl-2-oxidanyl-phenyl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-(5-chloro-2-hydroxy-phenyl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(5-chloro-2-hydroxyphenyl)ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-(5-chloro-2-hydroxyphenyl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(5-chloro-2-hydroxy-phenyl)ethylamino]-4-keto-butyrate Formula: C12H13ClNO4- MolecularWeight: 270.68892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CCNC(=O)CCC(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1Cl)CCNC(=O)CCC(=O)[O-])O

InChI

InChI=1S/C12H14ClNO4/c13-9-1-2-10(15)8(7-9)5-6-14-11(16)3-4-12(17)18/h1-2,7,15H,3-6H2,(H,14,16)(H,17,18)/p-1