(E)-1-diazonio-4-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-4-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate Openeye Name: (E)-3-(tert-butoxycarbonylamino)-1-diazonio-4-[4-(4-ethoxy-4-oxo-butoxy)phenyl]but-1-en-2-olate CAS Name: (E)-1-diazonio-4-[4-(4-ethoxy-4-oxobutoxy)phenyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-buten-2-olate IUPAC Name: (E)-1-diazonio-4-[4-(4-ethoxy-4-oxobutoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate Traditional Name: (E)-3-(tert-butoxycarbonylamino)-1-diazonio-4-[4-(4-ethoxy-4-keto-butoxy)phenyl]but-1-en-2-olate Formula: C21H29N3O6 MolecularWeight: 419.47146

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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)/b18-14+