(E)-2-diazonio-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-phenyl-1-benzofuran-7-yl)indol-3-yl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-phenyl-1-benzofuran-7-yl)indol-3-yl]ethenolate Openeye Name: (E)-1-[1-tert-butoxycarbonyl-4-(3-phenylbenzofuran-7-yl)indol-3-yl]-2-diazonio-ethenolate CAS Name: (E)-2-diazonio-1-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(3-phenyl-7-benzofuranyl)-3-indolyl]ethenolate IUPAC Name: (E)-2-diazonio-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-phenyl-1-benzofuran-7-yl)indol-3-yl]ethenolate Traditional Name: (E)-1-[1-tert-butoxycarbonyl-4-(3-phenylbenzofuran-7-yl)indol-3-yl]-2-diazonio-ethenolate Formula: C29H23N3O4 MolecularWeight: 477.51062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C(C=CC=C21)C3=CC=CC4=C3OC=C4C5=CC=CC=C5)C(=C[N+]#N)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C(C=CC=C21)C3=CC=CC4=C3OC=C4C5=CC=CC=C5)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C29H23N3O4/c1-29(2,3)36-28(34)32-16-22(25(33)15-31-30)26-19(11-8-14-24(26)32)20-12-7-13-21-23(17-35-27(20)21)18-9-5-4-6-10-18/h4-17H,1-3H3/b25-15+