3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoic acid

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoic acid Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)propanoic acid CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)propanoic acid IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)propanoic acid Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)propionic acid Formula: C6H6BrN3O4 MolecularWeight: 264.03354

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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)