tert-butyl 3-[2-(5-methyl-2-nitro-phenoxy)ethoxy]-4-nitro-benzoate

Systemtic Name: tert-butyl 3-[2-(5-methyl-2-nitro-phenoxy)ethoxy]-4-nitro-benzoate Openeye Name: tert-butyl 3-[2-(5-methyl-2-nitro-phenoxy)ethoxy]-4-nitro-benzoate CAS Name: 3-[2-(5-methyl-2-nitrophenoxy)ethoxy]-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(5-methyl-2-nitrophenoxy)ethoxy]-4-nitrobenzoate Traditional Name: 3-[2-(5-methyl-2-nitro-phenoxy)ethoxy]-4-nitro-benzoic acid tert-butyl ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCOC2=C(C=CC(=C2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCOC2=C(C=CC(=C2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O8/c1-13-5-7-15(21(24)25)17(11-13)28-9-10-29-18-12-14(6-8-16(18)22(26)27)19(23)30-20(2,3)4/h5-8,11-12H,9-10H2,1-4H3