1-[(3-bromanylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(3-bromanylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(3-bromophenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(3-bromophenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3-bromophenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(3-bromophenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C11H8BrN3O5 MolecularWeight: 342.10232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H8BrN3O5/c12-7-2-1-3-8(4-7)20-6-14-5-9(15(18)19)10(13-14)11(16)17/h1-5H,6H2,(H,16,17)