4-[[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]amino]butyric acid Formula: C13H14ClN3O3 MolecularWeight: 295.72156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CNCCCC(=O)O)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CNCCCC(=O)O)Cl)C#N

InChI

InChI=1S/C13H14ClN3O3/c14-11-6-10(4-3-9(11)7-15)17-12(18)8-16-5-1-2-13(19)20/h3-4,6,16H,1-2,5,8H2,(H,17,18)(H,19,20)