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

Systemtic Name: 3-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-1,2,3-triazol-4-yl]carbonylamino]-C-methyl-carbonimidoyl]phenolate Openeye Name: 3-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-isopropyl-triazole-4-carbonyl]amino]-C-methyl-carbonimidoyl]phenolate CAS Name: 3-[(1E)-1-[[[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-4-triazolyl]-oxomethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 3-[(E)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-propan-2-yltriazole-4-carbonyl]amino]-C-methylcarbonimidoyl]phenolate Traditional Name: 3-[(E)-N-[[1-(4-ammoniofurazan-3-yl)-5-isopropyl-triazole-4-carbonyl]amino]-C-methyl-carbonimidoyl]phenolate Formula: C16H18N8O3 MolecularWeight: 370.36592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=NN1C2=NON=C2[NH3+])C(=O)NN=C(C)C3=CC(=CC=C3)[O-]

Isomeric SMILES

CC(C)C1=C(N=NN1C2=NON=C2[NH3+])C(=O)N/N=C(\C)/C3=CC(=CC=C3)[O-]

InChI

InChI=1S/C16H18N8O3/c1-8(2)13-12(19-23-24(13)15-14(17)21-27-22-15)16(26)20-18-9(3)10-5-4-6-11(25)7-10/h4-8,25H,1-3H3,(H2,17,21)(H,20,26)/b18-9+