4-chloranyl-2-[(2,6-diethylphenyl)amino]-3-oxidanylidene-butanoic acid

Systemtic Name: 4-chloranyl-2-[(2,6-diethylphenyl)amino]-3-oxidanylidene-butanoic acid Openeye Name: 4-chloro-2-(2,6-diethylanilino)-3-oxo-butanoic acid CAS Name: 4-chloro-2-(2,6-diethylanilino)-3-oxobutanoic acid IUPAC Name: 4-chloro-2-(2,6-diethylanilino)-3-oxobutanoic acid Traditional Name: 4-chloro-2-(2,6-diethylanilino)-3-keto-butyric acid Formula: C14H18ClNO3 MolecularWeight: 283.75062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(C(=O)CCl)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(C(=O)CCl)C(=O)O

InChI

InChI=1S/C14H18ClNO3/c1-3-9-6-5-7-10(4-2)12(9)16-13(14(18)19)11(17)8-15/h5-7,13,16H,3-4,8H2,1-2H3,(H,18,19)