2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoic acid

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoic acid Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetic acid CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetic acid IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetic acid Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetic acid Formula: C6H6BrN3O4 MolecularWeight: 264.03354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C6H6BrN3O4/c1-3-5(7)6(10(13)14)8-9(3)2-4(11)12/h2H2,1H3,(H,11,12)