2-[2-(4-fluorophenyl)-5-nitro-imidazol-1-yl]ethyl 3,4,5-triacetyloxybenzoate

Systemtic Name: 2-[2-(4-fluorophenyl)-5-nitro-imidazol-1-yl]ethyl 3,4,5-triacetyloxybenzoate Openeye Name: 2-[2-(4-fluorophenyl)-5-nitro-imidazol-1-yl]ethyl 3,4,5-triacetoxybenzoate CAS Name: 3,4,5-triacetyloxybenzoic acid 2-[2-(4-fluorophenyl)-5-nitro-1-imidazolyl]ethyl ester IUPAC Name: 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethyl 3,4,5-triacetyloxybenzoate Traditional Name: 3,4,5-triacetoxybenzoic acid 2-[2-(4-fluorophenyl)-5-nitro-imidazol-1-yl]ethyl ester Formula: C24H20FN3O10 MolecularWeight: 529.428103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCCN2C(=CN=C2C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCCN2C(=CN=C2C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C24H20FN3O10/c1-13(29)36-19-10-17(11-20(37-14(2)30)22(19)38-15(3)31)24(32)35-9-8-27-21(28(33)34)12-26-23(27)16-4-6-18(25)7-5-16/h4-7,10-12H,8-9H2,1-3H3