[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H15BrN2O3 MolecularWeight: 327.1738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=C(C=CC(=C1)Br)N

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=C(C=CC(=C1)Br)N

InChI

InChI=1S/C13H15BrN2O3/c1-3-6-16-12(17)8(2)19-13(18)10-7-9(14)4-5-11(10)15/h3-5,7-8H,1,6,15H2,2H3,(H,16,17)