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

Systemtic Name: 4-[(5-chloranyl-2-ethoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-chloro-2-ethoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(5-chloro-2-ethoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(5-chloro-2-ethoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(5-chloro-2-ethoxy-benzyl)amino]-4-keto-butyric acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

InChI

InChI=1S/C13H16ClNO4/c1-2-19-11-4-3-10(14)7-9(11)8-15-12(16)5-6-13(17)18/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)