2-[(2-fluorophenyl)methyl]-5-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 2-[(2-fluorophenyl)methyl]-5-nitro-pyrazole-3-carboxylic acid Openeye Name: 2-[(2-fluorophenyl)methyl]-5-nitro-pyrazole-3-carboxylic acid CAS Name: 2-[(2-fluorophenyl)methyl]-5-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-[(2-fluorophenyl)methyl]-5-nitropyrazole-3-carboxylic acid Traditional Name: 2-(2-fluorobenzyl)-5-nitro-pyrazole-3-carboxylic acid Formula: C11H8FN3O4 MolecularWeight: 265.197323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)O)F

InChI

InChI=1S/C11H8FN3O4/c12-8-4-2-1-3-7(8)6-14-9(11(16)17)5-10(13-14)15(18)19/h1-5H,6H2,(H,16,17)