ethyl 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylsulfonylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S/c1-3-28-19(23)17-12-18(13-4-10-16(11-5-13)29(2,26)27)21(20-17)14-6-8-15(9-7-14)22(24)25/h4-12H,3H2,1-2H3