1-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(3,5-dinitro-4-oxidanyl-phenyl)ethanone

Systemtic Name: 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(3,5-dinitro-4-oxidanyl-phenyl)ethanone Openeye Name: 1-[4-(4-tert-butylthiazol-2-yl)-1-piperidyl]-2-(4-hydroxy-3,5-dinitro-phenyl)ethanone CAS Name: 1-[4-(4-tert-butyl-2-thiazolyl)-1-piperidinyl]-2-(4-hydroxy-3,5-dinitrophenyl)ethanone IUPAC Name: 1-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-hydroxy-3,5-dinitrophenyl)ethanone Traditional Name: 1-[4-(4-tert-butylthiazol-2-yl)piperidino]-2-(4-hydroxy-3,5-dinitro-phenyl)ethanone Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=O)CC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=O)CC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-20(2,3)16-11-31-19(21-16)13-4-6-22(7-5-13)17(25)10-12-8-14(23(27)28)18(26)15(9-12)24(29)30/h8-9,11,13,26H,4-7,10H2,1-3H3