5-nitro-4-piperidin-1-yl-7-(trifluoromethyl)-1,3-benzodithiol-2-one

Systemtic Name: 5-nitro-4-piperidin-1-yl-7-(trifluoromethyl)-1,3-benzodithiol-2-one Openeye Name: 5-nitro-4-(1-piperidyl)-7-(trifluoromethyl)-1,3-benzodithiol-2-one CAS Name: 5-nitro-4-(1-piperidinyl)-7-(trifluoromethyl)-1,3-benzodithiol-2-one IUPAC Name: 5-nitro-4-piperidin-1-yl-7-(trifluoromethyl)-1,3-benzodithiol-2-one Traditional Name: 5-nitro-4-piperidino-7-(trifluoromethyl)-1,3-benzodithiol-2-one Formula: C13H11F3N2O3S2 MolecularWeight: 364.36325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C3=C2SC(=O)S3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C3=C2SC(=O)S3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11F3N2O3S2/c14-13(15,16)7-6-8(18(20)21)9(17-4-2-1-3-5-17)11-10(7)22-12(19)23-11/h6H,1-5H2