5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid CAS Name: 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-mesylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13N3O6S/c1-27(25,26)14-8-2-11(3-9-14)16-10-15(17(21)22)18-19(16)12-4-6-13(7-5-12)20(23)24/h2-10H,1H3,(H,21,22)