4-[(E)-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(diethylazaniumyl)methyl]-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]-2-bromanyl-6-ethoxy-phenolate

Systemtic Name: 4-[(E)-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(diethylazaniumyl)methyl]-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]-2-bromanyl-6-ethoxy-phenolate Openeye Name: 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylammonio)methyl]triazole-4-carbonyl]hydrazono]methyl]-2-bromo-6-ethoxy-phenolate CAS Name: 4-[(E)-[[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylammonio)methyl]-4-triazolyl]-oxomethyl]hydrazinylidene]methyl]-2-bromo-6-ethoxyphenolate IUPAC Name: 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylazaniumyl)methyl]triazole-4-carbonyl]hydrazinylidene]methyl]-2-bromo-6-ethoxyphenolate Traditional Name: 4-[(E)-[[1-(4-aminofurazan-3-yl)-5-[(diethylammonio)methyl]triazole-4-carbonyl]hydrazono]methyl]-2-bromo-6-ethoxy-phenolate Formula: C19H24BrN9O4 MolecularWeight: 522.35576

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C(=C3)Br)[O-])OCC

Isomeric SMILES

CC[NH+](CC)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC(=C(C(=C3)Br)[O-])OCC

InChI

InChI=1S/C19H24BrN9O4/c1-4-28(5-2)10-13-15(23-27-29(13)18-17(21)25-33-26-18)19(31)24-22-9-11-7-12(20)16(30)14(8-11)32-6-3/h7-9,30H,4-6,10H2,1-3H3,(H2,21,25)(H,24,31)/b22-9+