3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoate

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoate Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)propanoate CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)propanoate IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)propanoate Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)propionate Formula: C6H5BrN3O4- MolecularWeight: 263.0256

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NN1CCC(=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=C(C(=NN1CCC(=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C6H6BrN3O4/c7-4-3-9(2-1-5(11)12)8-6(4)10(13)14/h3H,1-2H2,(H,11,12)/p-1