2-[[4,4-bis(ethoxycarbonyl)-7-methyl-oct-6-enoyl]-methyl-amino]benzenediazonium tetrafluoroborate

Systemtic Name: 2-[[4,4-bis(ethoxycarbonyl)-7-methyl-oct-6-enoyl]-methyl-amino]benzenediazonium tetrafluoroborate Openeye Name: 2-[[4,4-bis(ethoxycarbonyl)-7-methyl-oct-6-enoyl]-methyl-amino]benzenediazonium tetrafluoroborate CAS Name: 2-[[4,4-bis(ethoxycarbonyl)-7-methyl-1-oxooct-6-enyl]-methylamino]benzenediazonium tetrafluoroborate IUPAC Name: 2-[[4,4-bis(ethoxycarbonyl)-7-methyloct-6-enoyl]-methylamino]benzenediazonium tetrafluoroborate Traditional Name: 2-[(4,4-dicarbethoxy-7-methyl-oct-6-enoyl)-methyl-amino]benzenediazonium tetrafluoroborate Formula: C22H30BF4N3O5 MolecularWeight: 503.295313

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C(CCC(=O)N(C)C1=CC=CC=C1[N+]#N)(CC=C(C)C)C(=O)OCC

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C(CCC(=O)N(C)C1=CC=CC=C1[N+]#N)(CC=C(C)C)C(=O)OCC

InChI

InChI=1S/C22H30N3O5.BF4/c1-6-29-20(27)22(14-12-16(3)4,21(28)30-7-2)15-13-19(26)25(5)18-11-9-8-10-17(18)24-23;2-1(3,4)5/h8-12H,6-7,13-15H2,1-5H3;/q+1;-1