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

Systemtic Name: methyl 4-[3-(5-methoxy-4-nitro-imidazol-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-(5-methoxy-4-nitro-imidazol-1-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(5-methoxy-4-nitro-1-imidazolyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-(5-methoxy-4-nitroimidazol-1-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(5-methoxy-4-nitro-imidazol-1-yl)propoxy]benzoic acid methyl ester Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CN1CC(COC2=CC=C(C=C2)C(=O)OC)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(N=CN1CC(COC2=CC=C(C=C2)C(=O)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O7/c1-23-14-13(18(21)22)16-9-17(14)7-11(19)8-25-12-5-3-10(4-6-12)15(20)24-2/h3-6,9,11,19H,7-8H2,1-2H3