4-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-propyl-1,2,3-triazol-4-yl]carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate

Systemtic Name: 4-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-propyl-1,2,3-triazol-4-yl]carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate Openeye Name: 4-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-propyl-triazole-4-carbonyl]amino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate CAS Name: 4-[(1E)-1-[[[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propyl-4-triazolyl]-oxomethyl]hydrazinylidene]ethyl]-2-methoxyphenolate IUPAC Name: 4-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-propyltriazole-4-carbonyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenolate Traditional Name: 4-[(E)-N-[[1-(4-ammoniofurazan-3-yl)-5-propyl-triazole-4-carbonyl]amino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate Formula: C17H20N8O4 MolecularWeight: 400.3919

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=NON=C2[NH3+])C(=O)NN=C(C)C3=CC(=C(C=C3)[O-])OC

Isomeric SMILES

CCCC1=C(N=NN1C2=NON=C2[NH3+])C(=O)N/N=C(\C)/C3=CC(=C(C=C3)[O-])OC

InChI

InChI=1S/C17H20N8O4/c1-4-5-11-14(20-24-25(11)16-15(18)22-29-23-16)17(27)21-19-9(2)10-6-7-12(26)13(8-10)28-3/h6-8,26H,4-5H2,1-3H3,(H2,18,22)(H,21,27)/b19-9+