1-(4-methylsulfonyl-2-nitro-phenyl)-2-pyrazol-1-yl-butane-1,3-dione

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-pyrazol-1-yl-butane-1,3-dione Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-pyrazol-1-yl-butane-1,3-dione CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(1-pyrazolyl)butane-1,3-dione IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-pyrazol-1-ylbutane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-pyrazol-1-yl-butane-1,3-dione Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2C=CC=N2

Isomeric SMILES

CC(=O)C(C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2C=CC=N2

InChI

InChI=1S/C14H13N3O6S/c1-9(18)13(16-7-3-6-15-16)14(19)11-5-4-10(24(2,22)23)8-12(11)17(20)21/h3-8,13H,1-2H3