methyl 4-[6,7-dinitro-3-(trifluoromethyl)quinoxalin-2-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[6,7-dinitro-3-(trifluoromethyl)quinoxalin-2-yl]-3-nitro-benzoate Openeye Name: methyl 4-[6,7-dinitro-3-(trifluoromethyl)quinoxalin-2-yl]-3-nitro-benzoate CAS Name: 4-[6,7-dinitro-3-(trifluoromethyl)-2-quinoxalinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[6,7-dinitro-3-(trifluoromethyl)quinoxalin-2-yl]-3-nitrobenzoate Traditional Name: 4-[6,7-dinitro-3-(trifluoromethyl)quinoxalin-2-yl]-3-nitro-benzoic acid methyl ester Formula: C17H8F3N5O8 MolecularWeight: 467.26933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H8F3N5O8/c1-33-16(26)7-2-3-8(11(4-7)23(27)28)14-15(17(18,19)20)22-10-6-13(25(31)32)12(24(29)30)5-9(10)21-14/h2-6H,1H3