N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-nitro-1,3-benzothiazol-2-amine

Systemtic Name: N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-nitro-1,3-benzothiazol-2-amine Openeye Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-nitro-1,3-benzothiazol-2-amine CAS Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-nitro-1,3-benzothiazol-2-amine IUPAC Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-nitro-1,3-benzothiazol-2-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-(6-nitro-1,3-benzothiazol-2-yl)amine Formula: C14H5ClF3N5O6S MolecularWeight: 463.73261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC3=C(C=C(C(=C3[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC3=C(C=C(C(=C3[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H5ClF3N5O6S/c15-10-6(14(16,17)18)4-8(22(26)27)11(12(10)23(28)29)20-13-19-7-2-1-5(21(24)25)3-9(7)30-13/h1-4H,(H,19,20)