propan-2-yl 2-nitro-5-[2-nitro-4-(trifluoromethyl)phenoxy]benzoate

Systemtic Name: propan-2-yl 2-nitro-5-[2-nitro-4-(trifluoromethyl)phenoxy]benzoate Openeye Name: isopropyl 2-nitro-5-[2-nitro-4-(trifluoromethyl)phenoxy]benzoate CAS Name: 2-nitro-5-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-nitro-5-[2-nitro-4-(trifluoromethyl)phenoxy]benzoate Traditional Name: 2-nitro-5-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid isopropyl ester Formula: C17H13F3N2O7 MolecularWeight: 414.28953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N2O7/c1-9(2)28-16(23)12-8-11(4-5-13(12)21(24)25)29-15-6-3-10(17(18,19)20)7-14(15)22(26)27/h3-9H,1-2H3