(4-nitrophenyl)methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]but-2-ynoate

Systemtic Name: (4-nitrophenyl)methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]but-2-ynoate Openeye Name: (4-nitrophenyl)methyl 4-[(2-tert-butoxy-2-oxo-ethyl)amino]but-2-ynoate CAS Name: 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-butynoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]but-2-ynoate Traditional Name: 4-[(2-tert-butoxy-2-keto-ethyl)amino]but-2-ynoic acid (4-nitrobenzyl) ester Formula: C17H20N2O6 MolecularWeight: 348.3505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNCC#CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CNCC#CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O6/c1-17(2,3)25-16(21)11-18-10-4-5-15(20)24-12-13-6-8-14(9-7-13)19(22)23/h6-9,18H,10-12H2,1-3H3