6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one Openeye Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one CAS Name: 6-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one Traditional Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]sulfonyl-3H-1,3-benzoxazol-2-one Formula: C18H15F3N4O6S MolecularWeight: 472.39511

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C18H15F3N4O6S/c19-18(20,21)11-1-4-14(15(9-11)25(27)28)23-5-7-24(8-6-23)32(29,30)12-2-3-13-16(10-12)31-17(26)22-13/h1-4,9-10H,5-8H2,(H,22,26)