methyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitro-phenyl]butanoate

Systemtic Name: methyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitro-phenyl]butanoate Openeye Name: methyl 4-[5-[(tert-butoxycarbonylamino)methyl]-2-nitro-phenyl]butanoate CAS Name: 4-[5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-nitrophenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitrophenyl]butanoate Traditional Name: 4-[5-[(tert-butoxycarbonylamino)methyl]-2-nitro-phenyl]butyric acid methyl ester Formula: C17H24N2O6 MolecularWeight: 352.38226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6/c1-17(2,3)25-16(21)18-11-12-8-9-14(19(22)23)13(10-12)6-5-7-15(20)24-4/h8-10H,5-7,11H2,1-4H3,(H,18,21)