2-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-3-phenyl-butanoate

Systemtic Name: 2-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-3-phenyl-butanoate Openeye Name: 2-(tert-butoxycarbonylamino)-2-methoxycarbonyl-4-nitro-3-phenyl-butanoate CAS Name: 2-methoxycarbonyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitro-3-phenylbutanoate IUPAC Name: 2-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-3-phenylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-2-carbomethoxy-4-nitro-3-phenyl-butyrate Formula: C17H21N2O8- MolecularWeight: 381.35724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O8/c1-16(2,3)27-15(23)18-17(13(20)21,14(22)26-4)12(10-19(24)25)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,18,23)(H,20,21)/p-1