methyl 4-[3-(4-nitro-5-propan-2-yloxy-imidazol-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-(4-nitro-5-propan-2-yloxy-imidazol-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-(5-isopropoxy-4-nitro-imidazol-1-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(4-nitro-5-propan-2-yloxy-1-imidazolyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-(4-nitro-5-propan-2-yloxyimidazol-1-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(5-isopropoxy-4-nitro-imidazol-1-yl)propoxy]benzoic acid methyl ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(N=CN1CC(COC2=CC=C(C=C2)C(=O)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(N=CN1CC(COC2=CC=C(C=C2)C(=O)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O7/c1-11(2)27-16-15(20(23)24)18-10-19(16)8-13(21)9-26-14-6-4-12(5-7-14)17(22)25-3/h4-7,10-11,13,21H,8-9H2,1-3H3