2-nitro-1-(1-nitroethyl)-4-(trifluoromethyl)benzene

Systemtic Name: 2-nitro-1-(1-nitroethyl)-4-(trifluoromethyl)benzene Openeye Name: 2-nitro-1-(1-nitroethyl)-4-(trifluoromethyl)benzene CAS Name: 2-nitro-1-(1-nitroethyl)-4-(trifluoromethyl)benzene IUPAC Name: 2-nitro-1-(1-nitroethyl)-4-(trifluoromethyl)benzene Traditional Name: 2-nitro-1-(1-nitroethyl)-4-(trifluoromethyl)benzene Formula: C9H7F3N2O4 MolecularWeight: 264.15809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7F3N2O4/c1-5(13(15)16)7-3-2-6(9(10,11)12)4-8(7)14(17)18/h2-5H,1H3