2-(4-fluorophenyl)-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 2-(4-fluorophenyl)-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 2-(4-fluorophenyl)-5-isobutyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 2-(4-fluorophenyl)-5-(2-methylpropyl)-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-(4-fluorophenyl)-5-(2-methylpropyl)-4-nitropyrazole-3-carboxylic acid Traditional Name: 2-(4-fluorophenyl)-5-isobutyl-4-nitro-pyrazole-3-carboxylic acid Formula: C14H14FN3O4 MolecularWeight: 307.277063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CC1=NN(C(=C1[N+](=O)[O-])C(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H14FN3O4/c1-8(2)7-11-12(18(21)22)13(14(19)20)17(16-11)10-5-3-9(15)4-6-10/h3-6,8H,7H2,1-2H3,(H,19,20)