3-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-1H-indole-4-diazonium tetrafluoroborate

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-1H-indole-4-diazonium tetrafluoroborate Openeye Name: 3-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-1H-indole-4-diazonium tetrafluoroborate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-1H-indole-4-diazonium tetrafluoroborate IUPAC Name: 3-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonyl-1H-indole-4-diazonium tetrafluoroborate Traditional Name: 2-carbethoxy-3-(3,4-dichlorobenzyl)-1H-indole-4-diazonium tetrafluoroborate Formula: C18H14BCl2F4N3O2 MolecularWeight: 462.033273

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=C(C2=C(C=CC=C2N1)[N+]#N)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=C(C2=C(C=CC=C2N1)[N+]#N)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O2.BF4/c1-2-25-18(24)17-11(8-10-6-7-12(19)13(20)9-10)16-14(22-17)4-3-5-15(16)23-21;2-1(3,4)5/h3-7,9H,2,8H2,1H3;/q;-1/p+1