ethyl 3,5-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C15H17N3O6S/c1-5-24-15(19)14-10(3)16-17(11(14)4)25(22,23)13-8-12(18(20)21)7-6-9(13)2/h6-8H,5H2,1-4H3