N-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-4,6-dinitro-aniline

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-4,6-dinitro-aniline Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-4,6-dinitro-aniline CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-4,6-dinitroaniline IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-4,6-dinitroaniline Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-(2-tert-butyl-4,6-dinitro-phenyl)amine Formula: C18H15F6N3O4 MolecularWeight: 451.319819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15F6N3O4/c1-16(2,3)13-7-12(26(28)29)8-14(27(30)31)15(13)25-11-5-9(17(19,20)21)4-10(6-11)18(22,23)24/h4-8,25H,1-3H3