[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H14BrNO3/c1-8(12(16)15-11-5-6-11)18-13(17)9-3-2-4-10(14)7-9/h2-4,7-8,11H,5-6H2,1H3,(H,15,16)