[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-bromo-2-hydroxy-5-methyl-benzoate CAS Name: 3-bromo-2-hydroxy-5-methylbenzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-bromo-2-hydroxy-5-methylbenzoate Traditional Name: 3-bromo-2-hydroxy-5-methyl-benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=CC(=C1O)Br)C

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC(=CC(=C1O)Br)C

InChI

InChI=1S/C14H18BrNO4/c1-4-9(3)16-12(17)7-20-14(19)10-5-8(2)6-11(15)13(10)18/h5-6,9,18H,4,7H2,1-3H3,(H,16,17)