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

Systemtic Name: 5-(2-fluoranyl-4-nitro-phenoxy)-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(2-fluoro-4-nitro-phenoxy)-4-methyl-1-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 5-(2-fluoro-4-nitrophenoxy)-4-methyl-1-(4-methylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2-fluoro-4-nitrophenoxy)-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(2-fluoro-4-nitro-phenoxy)-4-methyl-1-(p-tolyl)pyrazole-3-carboxylic acid Formula: C18H14FN3O5 MolecularWeight: 371.319263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)O)C)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)O)C)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C18H14FN3O5/c1-10-3-5-12(6-4-10)21-17(11(2)16(20-21)18(23)24)27-15-8-7-13(22(25)26)9-14(15)19/h3-9H,1-2H3,(H,23,24)