methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3-nitro-phenyl)propanoate CAS Name: 3-(4-hydroxy-3-nitrophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-hydroxy-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3-nitro-phenyl)propionic acid methyl ester Formula: C15H20N2O7 MolecularWeight: 340.3285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H20N2O7/c1-15(2,3)24-14(20)16-10(13(19)23-4)7-9-5-6-12(18)11(8-9)17(21)22/h5-6,8,10,18H,7H2,1-4H3,(H,16,20)