(phenylmethyl) 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-5-nitro-benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]-5-nitro-benzoate Openeye Name: benzyl 2-(2-tert-butoxy-2-oxo-ethoxy)-5-nitro-benzoate CAS Name: 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-5-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-5-nitrobenzoate Traditional Name: 2-(2-tert-butoxy-2-keto-ethoxy)-5-nitro-benzoic acid benzyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21NO7/c1-20(2,3)28-18(22)13-26-17-10-9-15(21(24)25)11-16(17)19(23)27-12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3