2-[3-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(dimethylazaniumyl)methyl]-1,2,3-triazol-4-yl]carbonylhydrazinylidene]-2-oxidanylidene-indol-1-yl]ethanoate

Systemtic Name: 2-[3-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(dimethylazaniumyl)methyl]-1,2,3-triazol-4-yl]carbonylhydrazinylidene]-2-oxidanylidene-indol-1-yl]ethanoate Openeye Name: 2-[3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylammonio)methyl]triazole-4-carbonyl]hydrazono]-2-oxo-indolin-1-yl]acetate CAS Name: 2-[3-[[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylammonio)methyl]-4-triazolyl]-oxomethyl]hydrazinylidene]-2-oxo-1-indolyl]acetate IUPAC Name: 2-[3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylazaniumyl)methyl]triazole-4-carbonyl]hydrazinylidene]-2-oxoindol-1-yl]acetate Traditional Name: 2-[3-[[1-(4-aminofurazan-3-yl)-5-[(dimethylammonio)methyl]triazole-4-carbonyl]hydrazono]-2-keto-indolin-1-yl]acetate Formula: C18H18N10O5 MolecularWeight: 454.39952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=C3C4=CC=CC=C4N(C3=O)CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=C3C4=CC=CC=C4N(C3=O)CC(=O)[O-]

InChI

InChI=1S/C18H18N10O5/c1-26(2)7-11-14(21-25-28(11)16-15(19)23-33-24-16)17(31)22-20-13-9-5-3-4-6-10(9)27(18(13)32)8-12(29)30/h3-6H,7-8H2,1-2H3,(H2,19,23)(H,22,31)(H,29,30)