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

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[(5-fluoro-2-nitro-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[(5-fluoro-2-nitrophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[(5-fluoro-2-nitrophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(5-fluoro-2-nitro-benzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H12FN3O4 MolecularWeight: 293.250483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)F)[N+](=O)[O-])C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)F)[N+](=O)[O-])C)C(=O)O

InChI

InChI=1S/C13H12FN3O4/c1-7-12(13(18)19)8(2)16(15-7)6-9-5-10(14)3-4-11(9)17(20)21/h3-5H,6H2,1-2H3,(H,18,19)