(2-azanyl-2-oxidanylidene-ethyl) 3-(4-bromanylpyrazol-1-yl)propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(4-bromanylpyrazol-1-yl)propanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-(4-bromopyrazol-1-yl)propanoate CAS Name: 3-(4-bromo-1-pyrazolyl)propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(4-bromopyrazol-1-yl)propanoate Traditional Name: 3-(4-bromopyrazol-1-yl)propionic acid (2-amino-2-keto-ethyl) ester Formula: C8H10BrN3O3 MolecularWeight: 276.0873

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CCC(=O)OCC(=O)N)Br

Isomeric SMILES

C1=C(C=NN1CCC(=O)OCC(=O)N)Br

InChI

InChI=1S/C8H10BrN3O3/c9-6-3-11-12(4-6)2-1-8(14)15-5-7(10)13/h3-4H,1-2,5H2,(H2,10,13)