1-cyclopropyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-dione

Systemtic Name: 1-cyclopropyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-dione Openeye Name: 1-cyclopropyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(4-methylsulfonyl-2-nitro-phenyl)propane-1,3-dione CAS Name: 1-cyclopropyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(4-methylsulfonyl-2-nitrophenyl)propane-1,3-dione IUPAC Name: 1-cyclopropyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(4-methylsulfonyl-2-nitrophenyl)propane-1,3-dione Traditional Name: 1-cyclopropyl-3-(4-mesyl-2-nitro-phenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)propane-1,3-dione Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C(C(=O)C2CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=N1)C(C(=O)C2CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S/c1-8-17-16(26-18-8)13(14(20)9-3-4-9)15(21)11-6-5-10(27(2,24)25)7-12(11)19(22)23/h5-7,9,13H,3-4H2,1-2H3