(phenylmethyl) 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-butanoyl]-4-nitro-benzoate

Systemtic Name: (phenylmethyl) 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-butanoyl]-4-nitro-benzoate Openeye Name: benzyl 3-(2-tert-butoxycarbonyl-3-oxo-butanoyl)-4-nitro-benzoate CAS Name: 3-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,3-dioxobutyl]-4-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxobutanoyl]-4-nitrobenzoate Traditional Name: 3-(2-tert-butoxycarbonyl-3-keto-butanoyl)-4-nitro-benzoic acid benzyl ester Formula: C23H23NO8 MolecularWeight: 441.43062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO8/c1-14(25)19(22(28)32-23(2,3)4)20(26)17-12-16(10-11-18(17)24(29)30)21(27)31-13-15-8-6-5-7-9-15/h5-12,19H,13H2,1-4H3