(phenylmethyl) 3-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoyl]-4-nitro-benzoate

Systemtic Name: (phenylmethyl) 3-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoyl]-4-nitro-benzoate Openeye Name: benzyl 3-(3-tert-butoxy-3-oxo-propanoyl)-4-nitro-benzoate CAS Name: 3-[3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropyl]-4-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]-4-nitrobenzoate Traditional Name: 3-(3-tert-butoxy-3-keto-propanoyl)-4-nitro-benzoic acid benzyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-21(2,3)29-19(24)12-18(23)16-11-15(9-10-17(16)22(26)27)20(25)28-13-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3