4,5-dinitro-3-(phenylmethyl)-2-(trifluoromethyl)aniline

Systemtic Name: 4,5-dinitro-3-(phenylmethyl)-2-(trifluoromethyl)aniline Openeye Name: 3-benzyl-4,5-dinitro-2-(trifluoromethyl)aniline CAS Name: 4,5-dinitro-3-(phenylmethyl)-2-(trifluoromethyl)aniline IUPAC Name: 3-benzyl-4,5-dinitro-2-(trifluoromethyl)aniline Traditional Name: [3-benzyl-4,5-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)CC2=C(C(=CC(=C2[N+](=O)[O-])[N+](=O)[O-])N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=CC(=C2[N+](=O)[O-])[N+](=O)[O-])N)C(F)(F)F

InChI

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