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

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(2-chloro-4-fluoro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(2-chloro-4-fluorophenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2-chloro-4-fluorophenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(2-chloro-4-fluoro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C11H7ClFN3O5 MolecularWeight: 315.641783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7ClFN3O5/c12-7-3-6(13)1-2-9(7)21-5-15-4-8(16(19)20)10(14-15)11(17)18/h1-4H,5H2,(H,17,18)