ethyl 5-methyl-3-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-3-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-(4-nitrophenyl)-3-(p-tolylsulfonyl)pyrazole-4-carboxylate CAS Name: 5-methyl-3-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-methyl-1-(4-nitrophenyl)-3-tosyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O6S/c1-4-29-20(24)18-14(3)22(15-7-9-16(10-8-15)23(25)26)21-19(18)30(27,28)17-11-5-13(2)6-12-17/h5-12H,4H2,1-3H3