[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C13H16ClNO4 MolecularWeight: 285.72344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C=C(C=C1)Cl)O

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=C(C=C(C=C1)Cl)O

InChI

InChI=1S/C13H16ClNO4/c1-3-8(2)15-12(17)7-19-13(18)10-5-4-9(14)6-11(10)16/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)