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

Systemtic Name: 2-[(2-chloranyl-4-cyano-phenyl)amino]-3-methyl-butanoic acid Openeye Name: 2-(2-chloro-4-cyano-anilino)-3-methyl-butanoic acid CAS Name: 2-(2-chloro-4-cyanoanilino)-3-methylbutanoic acid IUPAC Name: 2-(2-chloro-4-cyanoanilino)-3-methylbutanoic acid Traditional Name: 2-(2-chloro-4-cyano-anilino)-3-methyl-butyric acid Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C(C=C(C=C1)C#N)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC1=C(C=C(C=C1)C#N)Cl

InChI

InChI=1S/C12H13ClN2O2/c1-7(2)11(12(16)17)15-10-4-3-8(6-14)5-9(10)13/h3-5,7,11,15H,1-2H3,(H,16,17)