4-bromanyl-2-ethyl-5-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-2-ethyl-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-2-ethyl-5-nitro-pyrazole-3-carboxylic acid CAS Name: 4-bromo-2-ethyl-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-2-ethyl-5-nitropyrazole-3-carboxylic acid Traditional Name: 4-bromo-2-ethyl-5-nitro-pyrazole-3-carboxylic acid Formula: C6H6BrN3O4 MolecularWeight: 264.03354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

CCN1C(=C(C(=N1)[N+](=O)[O-])Br)C(=O)O

InChI

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