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

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] cyclopropanecarboxylate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid (5-methyl-4-nosyl-2-phenyl-pyrazol-3-yl) ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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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)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O6S/c1-13-18(30(27,28)17-11-9-16(10-12-17)23(25)26)19(29-20(24)14-7-8-14)22(21-13)15-5-3-2-4-6-15/h2-6,9-12,14H,7-8H2,1H3