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

Systemtic Name: N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-methoxy-1,3-benzothiazol-2-amine Openeye Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-methoxy-1,3-benzothiazol-2-amine CAS Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-methoxy-1,3-benzothiazol-2-amine IUPAC Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C15H8ClF3N4O5S MolecularWeight: 448.76103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C=C(C(=C3[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C=C(C(=C3[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H8ClF3N4O5S/c1-28-6-2-3-8-10(4-6)29-14(20-8)21-12-9(22(24)25)5-7(15(17,18)19)11(16)13(12)23(26)27/h2-5H,1H3,(H,20,21)