2-[7-nitro-2-oxidanylidene-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]ethanenitrile

Systemtic Name: 2-[7-nitro-2-oxidanylidene-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]ethanenitrile Openeye Name: 2-[7-nitro-2-oxo-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]acetonitrile CAS Name: 2-[7-nitro-2-oxo-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]acetonitrile IUPAC Name: 2-[7-nitro-2-oxo-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]acetonitrile Traditional Name: 2-[2-keto-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]acetonitrile Formula: C10H4F3N3O3S MolecularWeight: 303.21727

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1N(C(=O)S2)CC#N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C2=C1N(C(=O)S2)CC#N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H4F3N3O3S/c11-10(12,13)5-3-6-8(7(4-5)16(18)19)20-9(17)15(6)2-1-14/h3-4H,2H2