(E)-4-[3,4-bis(phenylmethoxy)phenyl]-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate

Systemtic Name: (E)-4-[3,4-bis(phenylmethoxy)phenyl]-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate Openeye Name: (E)-3-(tert-butoxycarbonylamino)-1-diazonio-4-(3,4-dibenzyloxyphenyl)but-1-en-2-olate CAS Name: (E)-4-[3,4-bis(phenylmethoxy)phenyl]-1-diazonio-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-buten-2-olate IUPAC Name: (E)-4-[3,4-bis(phenylmethoxy)phenyl]-1-diazonio-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-en-2-olate Traditional Name: (E)-3-(tert-butoxycarbonylamino)-1-diazonio-4-(3,4-dibenzoxyphenyl)but-1-en-2-olate Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=C[N+]#N)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C29H31N3O5/c1-29(2,3)37-28(34)32-24(25(33)18-31-30)16-23-14-15-26(35-19-21-10-6-4-7-11-21)27(17-23)36-20-22-12-8-5-9-13-22/h4-15,17-18,24H,16,19-20H2,1-3H3,(H-,32,33,34)/b25-18+