1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C11H7FN4O7 MolecularWeight: 326.194283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H7FN4O7/c12-6-1-2-7(15(19)20)9(3-6)23-5-14-4-8(16(21)22)10(13-14)11(17)18/h1-4H,5H2,(H,17,18)