5-nitro-3-phenacyl-7-(trifluoromethyl)-1,3-benzothiazol-2-one

Systemtic Name: 5-nitro-3-phenacyl-7-(trifluoromethyl)-1,3-benzothiazol-2-one Openeye Name: 5-nitro-3-phenacyl-7-(trifluoromethyl)-1,3-benzothiazol-2-one CAS Name: 5-nitro-3-phenacyl-7-(trifluoromethyl)-1,3-benzothiazol-2-one IUPAC Name: 5-nitro-3-phenacyl-7-(trifluoromethyl)-1,3-benzothiazol-2-one Traditional Name: 5-nitro-3-phenacyl-7-(trifluoromethyl)-1,3-benzothiazol-2-one Formula: C16H9F3N2O4S MolecularWeight: 382.31387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C3=C(C(=CC(=C3)[N+](=O)[O-])C(F)(F)F)SC2=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C3=C(C(=CC(=C3)[N+](=O)[O-])C(F)(F)F)SC2=O

InChI

InChI=1S/C16H9F3N2O4S/c17-16(18,19)11-6-10(21(24)25)7-12-14(11)26-15(23)20(12)8-13(22)9-4-2-1-3-5-9/h1-7H,8H2