4-chloranyl-3-[5-(1,3-dioxan-2-yl)-4-nitro-pyrazol-1-yl]-1-methyl-5-methylsulfonyl-pyrazole

Systemtic Name: 4-chloranyl-3-[5-(1,3-dioxan-2-yl)-4-nitro-pyrazol-1-yl]-1-methyl-5-methylsulfonyl-pyrazole Openeye Name: 4-chloro-3-[5-(1,3-dioxan-2-yl)-4-nitro-pyrazol-1-yl]-1-methyl-5-methylsulfonyl-pyrazole CAS Name: 4-chloro-3-[5-(1,3-dioxan-2-yl)-4-nitro-1-pyrazolyl]-1-methyl-5-methylsulfonylpyrazole IUPAC Name: 4-chloro-3-[5-(1,3-dioxan-2-yl)-4-nitropyrazol-1-yl]-1-methyl-5-methylsulfonylpyrazole Traditional Name: 4-chloro-3-[5-(1,3-dioxan-2-yl)-4-nitro-pyrazol-1-yl]-5-mesyl-1-methyl-pyrazole Formula: C12H14ClN5O6S MolecularWeight: 391.78746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)N2C(=C(C=N2)[N+](=O)[O-])C3OCCCO3)Cl)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C(=N1)N2C(=C(C=N2)[N+](=O)[O-])C3OCCCO3)Cl)S(=O)(=O)C

InChI

InChI=1S/C12H14ClN5O6S/c1-16-11(25(2,21)22)8(13)10(15-16)17-9(7(6-14-17)18(19)20)12-23-4-3-5-24-12/h6,12H,3-5H2,1-2H3