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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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