7-nitro-1-pentan-3-yl-5-(trifluoromethyl)benzotriazole

Systemtic Name: 7-nitro-1-pentan-3-yl-5-(trifluoromethyl)benzotriazole Openeye Name: 1-(1-ethylpropyl)-7-nitro-5-(trifluoromethyl)benzotriazole CAS Name: 7-nitro-1-pentan-3-yl-5-(trifluoromethyl)benzotriazole IUPAC Name: 7-nitro-1-pentan-3-yl-5-(trifluoromethyl)benzotriazole Traditional Name: 1-(1-ethylpropyl)-7-nitro-5-(trifluoromethyl)benzotriazole Formula: C12H13F3N4O2 MolecularWeight: 302.25243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)N=N1

Isomeric SMILES

CCC(CC)N1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)N=N1

InChI

InChI=1S/C12H13F3N4O2/c1-3-8(4-2)18-11-9(16-17-18)5-7(12(13,14)15)6-10(11)19(20)21/h5-6,8H,3-4H2,1-2H3