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

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3-phenylpropanoate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C25H21N3O6S MolecularWeight: 491.51574

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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)CCC3=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)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O6S/c1-18-24(35(32,33)22-15-13-21(14-16-22)28(30)31)25(27(26-18)20-10-6-3-7-11-20)34-23(29)17-12-19-8-4-2-5-9-19/h2-11,13-16H,12,17H2,1H3