methyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitro-phenyl]propanoate

Systemtic Name: methyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitro-phenyl]propanoate Openeye Name: methyl 3-[5-[(tert-butoxycarbonylamino)methyl]-2-nitro-phenyl]propanoate CAS Name: 3-[5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-nitrophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitrophenyl]propanoate Traditional Name: 3-[5-[(tert-butoxycarbonylamino)methyl]-2-nitro-phenyl]propionic acid methyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC(=C(C=C1)[N+](=O)[O-])CCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC(=C(C=C1)[N+](=O)[O-])CCC(=O)OC

InChI

InChI=1S/C16H22N2O6/c1-16(2,3)24-15(20)17-10-11-5-7-13(18(21)22)12(9-11)6-8-14(19)23-4/h5,7,9H,6,8,10H2,1-4H3,(H,17,20)