ethyl 2-[2-(diethylsulfamoyl)-4-nitro-phenyl]-5-pyridin-4-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[2-(diethylsulfamoyl)-4-nitro-phenyl]-5-pyridin-4-yl-pyrazole-3-carboxylate Openeye Name: ethyl 2-[2-(diethylsulfamoyl)-4-nitro-phenyl]-5-(4-pyridyl)pyrazole-3-carboxylate CAS Name: 2-[2-(diethylsulfamoyl)-4-nitrophenyl]-5-pyridin-4-yl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(diethylsulfamoyl)-4-nitrophenyl]-5-pyridin-4-ylpyrazole-3-carboxylate Traditional Name: 2-[2-(diethylsulfamoyl)-4-nitro-phenyl]-5-(4-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC

InChI

InChI=1S/C21H23N5O6S/c1-4-24(5-2)33(30,31)20-13-16(26(28)29)7-8-18(20)25-19(21(27)32-6-3)14-17(23-25)15-9-11-22-12-10-15/h7-14H,4-6H2,1-3H3