1-(1,3-dinitropropan-2-yl)-4-(trifluoromethyl)benzene

Systemtic Name: 1-(1,3-dinitropropan-2-yl)-4-(trifluoromethyl)benzene Openeye Name: 1-[2-nitro-1-(nitromethyl)ethyl]-4-(trifluoromethyl)benzene CAS Name: 1-(1,3-dinitropropan-2-yl)-4-(trifluoromethyl)benzene IUPAC Name: 1-(1,3-dinitropropan-2-yl)-4-(trifluoromethyl)benzene Traditional Name: 1-[2-nitro-1-(nitromethyl)ethyl]-4-(trifluoromethyl)benzene Formula: C10H9F3N2O4 MolecularWeight: 278.18467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[N+](=O)[O-])C[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(C[N+](=O)[O-])C[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H9F3N2O4/c11-10(12,13)9-3-1-7(2-4-9)8(5-14(16)17)6-15(18)19/h1-4,8H,5-6H2