ethyl 2-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)-5-pyridin-3-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)-5-pyridin-3-yl-pyrazole-3-carboxylate Openeye Name: ethyl 2-(2-morpholinosulfonyl-4-nitro-phenyl)-5-(3-pyridyl)pyrazole-3-carboxylate CAS Name: 2-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-5-(3-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)-5-pyridin-3-ylpyrazole-3-carboxylate Traditional Name: 2-(2-morpholinosulfonyl-4-nitro-phenyl)-5-(3-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5O7S/c1-2-33-21(27)19-13-17(15-4-3-7-22-14-15)23-25(19)18-6-5-16(26(28)29)12-20(18)34(30,31)24-8-10-32-11-9-24/h3-7,12-14H,2,8-11H2,1H3