2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-nitrophenyl)methoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-nitrophenyl)methoxy]-5-oxidanylidene-pentanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-5-[(4-nitrophenyl)methoxy]-5-oxo-pentanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[(4-nitrophenyl)methoxy]-5-oxopentanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-nitrophenyl)methoxy]-5-oxopentanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-5-keto-5-(4-nitrobenzyl)oxy-valeric acid Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O8/c1-17(2,3)27-16(23)18-13(15(21)22)8-9-14(20)26-10-11-4-6-12(7-5-11)19(24)25/h4-7,13H,8-10H2,1-3H3,(H,18,23)(H,21,22)