3,4-dinitro-N-(phenylmethyl)-2-(trifluoromethyl)aniline

Systemtic Name: 3,4-dinitro-N-(phenylmethyl)-2-(trifluoromethyl)aniline Openeye Name: N-benzyl-3,4-dinitro-2-(trifluoromethyl)aniline CAS Name: 3,4-dinitro-N-(phenylmethyl)-2-(trifluoromethyl)aniline IUPAC Name: N-benzyl-3,4-dinitro-2-(trifluoromethyl)aniline Traditional Name: benzyl-[3,4-dinitro-2-(trifluoromethyl)phenyl]amine Formula: C14H10F3N3O4 MolecularWeight: 341.24211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H10F3N3O4/c15-14(16,17)12-10(18-8-9-4-2-1-3-5-9)6-7-11(19(21)22)13(12)20(23)24/h1-7,18H,8H2