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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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