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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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