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

Systemtic Name: 4-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-chloro-2-hydroxy-phenyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(5-chloro-2-hydroxyphenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(5-chloro-2-hydroxyphenyl)methylamino]-4-oxobutanoate Traditional Name: 4-[(5-chloro-2-hydroxy-benzyl)amino]-4-keto-butyrate Formula: C11H11ClNO4- MolecularWeight: 256.66234

Click to see the large picture

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)/p-1