2-(3-cyano-4-fluoranyl-phenyl)-5-methyl-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 2-(3-cyano-4-fluoranyl-phenyl)-5-methyl-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 2-(3-cyano-4-fluoro-phenyl)-5-methyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 2-(3-cyano-4-fluorophenyl)-5-methyl-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 2-(3-cyano-4-fluorophenyl)-5-methyl-4-nitropyrazole-3-carboxylic acid Traditional Name: 2-(3-cyano-4-fluoro-phenyl)-5-methyl-4-nitro-pyrazole-3-carboxylic acid Formula: C12H7FN4O4 MolecularWeight: 290.206783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7FN4O4/c1-6-10(17(20)21)11(12(18)19)16(15-6)8-2-3-9(13)7(4-8)5-14/h2-4H,1H3,(H,18,19)