(E)-4-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-4-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-3-(tert-butoxycarbonylamino)-4-[4-(4-ethoxy-4-oxo-butoxy)phenyl]-2-hydroxy-but-1-ene-1-diazonium CAS Name: (E)-4-[4-(4-ethoxy-4-oxobutoxy)phenyl]-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-butene-1-diazonium IUPAC Name: (E)-4-[4-(4-ethoxy-4-oxobutoxy)phenyl]-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ene-1-diazonium Traditional Name: (E)-3-(tert-butoxycarbonylamino)-4-[4-(4-ethoxy-4-keto-butoxy)phenyl]-2-hydroxy-but-1-ene-1-diazonium Formula: C21H30N3O6+ MolecularWeight: 420.4794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=C[N+]#N)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)CC(/C(=C\[N+]#N)/O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O6/c1-5-28-19(26)7-6-12-29-16-10-8-15(9-11-16)13-17(18(25)14-23-22)24-20(27)30-21(2,3)4/h8-11,14,17H,5-7,12-13H2,1-4H3,(H-,24,25,27)/p+1/b18-14+