(4-nitrophenyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (4-nitrophenyl) 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (4-nitrophenyl) 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (4-nitrophenyl) ester Formula: C20H13N3O4S MolecularWeight: 391.39992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O4S/c24-20(27-16-10-8-15(9-11-16)23(25)26)18-13-17(19-7-4-12-28-19)21-22(18)14-5-2-1-3-6-14/h1-13H