6-nitro-1,1-bis(oxidanylidene)-2-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one

Systemtic Name: 6-nitro-1,1-bis(oxidanylidene)-2-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one Openeye Name: 6-nitro-1,1-dioxo-2-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one CAS Name: 6-nitro-1,1-dioxo-2-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one IUPAC Name: 6-nitro-1,1-dioxo-2-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-6-nitro-2-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-one Formula: C14H7F3N2O5S MolecularWeight: 372.27599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H7F3N2O5S/c15-14(16,17)8-2-1-3-9(6-8)18-13(20)11-5-4-10(19(21)22)7-12(11)25(18,23)24/h1-7H