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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N=CN1CC(COC2=CC=C(C=C2)C(=O)OC)O)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(N=CN1CC(COC2=CC=C(C=C2)C(=O)OC)O)[N+](=O)[O-]

InChI

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