methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)-4-oxo-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-nitrophenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)-4-oxobutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-keto-4-(4-nitrophenyl)butyric acid methyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-16(2,3)25-15(21)17-12(14(20)24-4)9-13(19)10-5-7-11(8-6-10)18(22)23/h5-8,12H,9H2,1-4H3,(H,17,21)