[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3/c1-3-9(2)15-12(16)8-18-13(17)10-5-4-6-11(14)7-10/h4-7,9H,3,8H2,1-2H3,(H,15,16)