(E)-4-(4-acetyloxyphenyl)-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate

Systemtic Name: (E)-4-(4-acetyloxyphenyl)-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate Openeye Name: (E)-4-(4-acetoxyphenyl)-3-(tert-butoxycarbonylamino)-1-diazonio-but-1-en-2-olate CAS Name: (E)-4-(4-acetyloxyphenyl)-1-diazonio-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-buten-2-olate IUPAC Name: (E)-4-(4-acetyloxyphenyl)-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate Traditional Name: (E)-4-(4-acetoxyphenyl)-3-(tert-butoxycarbonylamino)-1-diazonio-but-1-en-2-olate Formula: C17H21N3O5 MolecularWeight: 347.36574

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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)/b15-10+