ethyl 3-(4-bromanyl-2-nitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: ethyl 3-(4-bromanyl-2-nitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: ethyl 3-(4-bromo-2-nitro-phenyl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-(4-bromo-2-nitrophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(4-bromo-2-nitro-phenyl)-2-(tert-butoxycarbonylamino)propionic acid ethyl ester Formula: C16H21BrN2O6 MolecularWeight: 417.25174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O6/c1-5-24-14(20)12(18-15(21)25-16(2,3)4)8-10-6-7-11(17)9-13(10)19(22)23/h6-7,9,12H,5,8H2,1-4H3,(H,18,21)