2,6-dinitro-4-(trifluoromethyl)aniline; 6-methoxy-2-methyl-1,3-benzothiazole

Systemtic Name: 2,6-dinitro-4-(trifluoromethyl)aniline; 6-methoxy-2-methyl-1,3-benzothiazole Openeye Name: 2,6-dinitro-4-(trifluoromethyl)aniline; 6-methoxy-2-methyl-1,3-benzothiazole CAS Name: 2,6-dinitro-4-(trifluoromethyl)aniline; 6-methoxy-2-methyl-1,3-benzothiazole IUPAC Name: 2,6-dinitro-4-(trifluoromethyl)aniline; 6-methoxy-2-methyl-1,3-benzothiazole Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]amine; 6-methoxy-2-methyl-1,3-benzothiazole Formula: C16H13F3N4O5S MolecularWeight: 430.35843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)OC.C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)OC.C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H9NOS.C7H4F3N3O4/c1-6-10-8-4-3-7(11-2)5-9(8)12-6;8-7(9,10)3-1-4(12(14)15)6(11)5(2-3)13(16)17/h3-5H,1-2H3;1-2H,11H2