methyl 4-(3-methoxyphenoxy)-3-nitro-5-[2-(oxan-2-yloxy)ethoxy]benzoate

Systemtic Name: methyl 4-(3-methoxyphenoxy)-3-nitro-5-[2-(oxan-2-yloxy)ethoxy]benzoate Openeye Name: methyl 4-(3-methoxyphenoxy)-3-nitro-5-(2-tetrahydropyran-2-yloxyethoxy)benzoate CAS Name: 4-(3-methoxyphenoxy)-3-nitro-5-[2-(2-oxanyloxy)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-(3-methoxyphenoxy)-3-nitro-5-[2-(oxan-2-yloxy)ethoxy]benzoate Traditional Name: 4-(3-methoxyphenoxy)-3-nitro-5-(2-tetrahydropyran-2-yloxyethoxy)benzoic acid methyl ester Formula: C22H25NO9 MolecularWeight: 447.4352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=C(C=C(C=C2OCCOC3CCCCO3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)OC2=C(C=C(C=C2OCCOC3CCCCO3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25NO9/c1-27-16-6-5-7-17(14-16)32-21-18(23(25)26)12-15(22(24)28-2)13-19(21)29-10-11-31-20-8-3-4-9-30-20/h5-7,12-14,20H,3-4,8-11H2,1-2H3