diethyl 2-[7-nitro-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-yl]propanedioate

Systemtic Name: diethyl 2-[7-nitro-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-yl]propanedioate Openeye Name: diethyl 2-[7-nitro-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-yl]propanedioate CAS Name: 2-[7-nitro-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[7-nitro-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-yl]propanedioate Traditional Name: 2-[7-nitro-2,5-bis(trifluoromethyl)-1H-benzimidazol-4-yl]malonic acid diethyl ester Formula: C16H13F6N3O6 MolecularWeight: 457.281339

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=N2)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=N2)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C16H13F6N3O6/c1-3-30-12(26)9(13(27)31-4-2)8-6(15(17,18)19)5-7(25(28)29)10-11(8)24-14(23-10)16(20,21)22/h5,9H,3-4H2,1-2H3,(H,23,24)