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

Systemtic Name: 4-[(3-chloranyl-4-cyano-phenyl)amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-4-cyano-anilino)-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-(3-chloro-4-cyanoanilino)-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-4-cyanoanilino)-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-(3-chloro-4-cyano-anilino)-2,2-diethyl-4-keto-butyric acid Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O3/c1-3-15(4-2,14(20)21)8-13(19)18-11-6-5-10(9-17)12(16)7-11/h5-7H,3-4,8H2,1-2H3,(H,18,19)(H,20,21)