5-[(4-chloranyl-3-cyano-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-chloranyl-3-cyano-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-chloro-3-cyano-anilino)-5-oxo-pentanoic acid CAS Name: 5-(4-chloro-3-cyanoanilino)-5-oxopentanoic acid IUPAC Name: 5-(4-chloro-3-cyanoanilino)-5-oxopentanoic acid Traditional Name: 5-(4-chloro-3-cyano-anilino)-5-keto-valeric acid Formula: C12H11ClN2O3 MolecularWeight: 266.68034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O3/c13-10-5-4-9(6-8(10)7-14)15-11(16)2-1-3-12(17)18/h4-6H,1-3H2,(H,15,16)(H,17,18)