1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(2,4-dimethoxyphenyl)methyleneamino]triazole-4-carboxamide CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-triazolecarboxamide IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]triazole-4-carboxamide Traditional Name: 1-(4-aminofurazan-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(2,4-dimethoxybenzylidene)amino]triazole-4-carboxamide Formula: C21H18N8O6 MolecularWeight: 478.41762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C21H18N8O6/c1-31-13-5-3-12(15(8-13)32-2)9-23-25-21(30)17-18(11-4-6-14-16(7-11)34-10-33-14)29(28-24-17)20-19(22)26-35-27-20/h3-9H,10H2,1-2H3,(H2,22,26)(H,25,30)/b23-9+