[5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-phenoxypropanoate

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-phenoxypropanoate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-phenoxypropanoate CAS Name: 2-phenoxypropanoic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-phenoxypropanoate Traditional Name: 2-phenoxypropionic acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C25H21N3O7S MolecularWeight: 507.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C(C)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C(C)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O7S/c1-17-23(36(32,33)22-15-13-20(14-16-22)28(30)31)24(27(26-17)19-9-5-3-6-10-19)35-25(29)18(2)34-21-11-7-4-8-12-21/h3-16,18H,1-2H3