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

Systemtic Name: 2-(1-methylpyrazol-3-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione Openeye Name: 2-(1-methylpyrazol-3-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione CAS Name: 2-(1-methyl-3-pyrazolyl)-1-(4-methylsulfonyl-2-nitrophenyl)butane-1,3-dione IUPAC Name: 2-(1-methylpyrazol-3-yl)-1-(4-methylsulfonyl-2-nitrophenyl)butane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-(1-methylpyrazol-3-yl)butane-1,3-dione Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=NN(C=C1)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C1=NN(C=C1)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6S/c1-9(19)14(12-6-7-17(2)16-12)15(20)11-5-4-10(25(3,23)24)8-13(11)18(21)22/h4-8,14H,1-3H3