2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(4-nitrophenyl)methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(4-nitrophenyl)methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-[(4-nitrophenyl)methoxy]-4-oxo-butanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[(4-nitrophenyl)methoxy]-4-oxobutanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(4-nitrophenyl)methoxy]-4-oxobutanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-keto-4-(4-nitrobenzyl)oxy-butyric acid Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O8/c1-16(2,3)26-15(22)17-12(14(20)21)8-13(19)25-9-10-4-6-11(7-5-10)18(23)24/h4-7,12H,8-9H2,1-3H3,(H,17,22)(H,20,21)