methyl 3-bromanyl-5-nitro-benzoate; 2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: methyl 3-bromanyl-5-nitro-benzoate; 2,2,2-tris(fluoranyl)ethanamide Openeye Name: methyl 3-bromo-5-nitro-benzoate; 2,2,2-trifluoroacetamide CAS Name: 3-bromo-5-nitrobenzoic acid methyl ester; 2,2,2-trifluoroacetamide IUPAC Name: methyl 3-bromo-5-nitrobenzoate; 2,2,2-trifluoroacetamide Traditional Name: 3-bromo-5-nitro-benzoic acid methyl ester; 2,2,2-trifluoroacetamide Formula: C10H8BrF3N2O5 MolecularWeight: 373.08013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6BrNO4.C2H2F3NO/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13;3-2(4,5)1(6)7/h2-4H,1H3;(H2,6,7)