4-[(2-methylpropan-2-yl)oxy]-2-[(4-nitrophenyl)methoxycarbonyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxy]-2-[(4-nitrophenyl)methoxycarbonyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-tert-butoxy-2-[(4-nitrophenyl)methoxycarbonyl]-4-oxo-butanoic acid CAS Name: 4-[(2-methylpropan-2-yl)oxy]-2-[(4-nitrophenyl)methoxy-oxomethyl]-4-oxobutanoic acid IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]-2-[(4-nitrophenyl)methoxycarbonyl]-4-oxobutanoic acid Traditional Name: 4-tert-butoxy-4-keto-2-(4-nitrobenzyl)oxycarbonyl-butyric acid Formula: C16H19NO8 MolecularWeight: 353.32396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO8/c1-16(2,3)25-13(18)8-12(14(19)20)15(21)24-9-10-4-6-11(7-5-10)17(22)23/h4-7,12H,8-9H2,1-3H3,(H,19,20)