(E)-4-(4-acetyloxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-4-(4-acetyloxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-4-(4-acetoxyphenyl)-3-(tert-butoxycarbonylamino)-2-hydroxy-but-1-ene-1-diazonium CAS Name: (E)-4-(4-acetyloxyphenyl)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-butene-1-diazonium IUPAC Name: (E)-4-(4-acetyloxyphenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ene-1-diazonium Traditional Name: (E)-4-(4-acetoxyphenyl)-3-(tert-butoxycarbonylamino)-2-hydroxy-but-1-ene-1-diazonium Formula: C17H22N3O5+ MolecularWeight: 348.37368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=C[N+]#N)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC(/C(=C\[N+]#N)/O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H21N3O5/c1-11(21)24-13-7-5-12(6-8-13)9-14(15(22)10-19-18)20-16(23)25-17(2,3)4/h5-8,10,14H,9H2,1-4H3,(H-,20,22,23)/p+1/b15-10+