1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3-methoxy-4-propoxy-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3-methoxy-4-propoxy-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-methoxy-4-propoxy-phenyl)triazole-4-carboxylic acid CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-methoxy-4-propoxyphenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-methoxy-4-propoxyphenyl)triazole-4-carboxylic acid Traditional Name: 1-(4-aminofurazan-3-yl)-5-(3-methoxy-4-propoxy-phenyl)triazole-4-carboxylic acid Formula: C15H16N6O5 MolecularWeight: 360.32474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)O)OC

InChI

InChI=1S/C15H16N6O5/c1-3-6-25-9-5-4-8(7-10(9)24-2)12-11(15(22)23)17-20-21(12)14-13(16)18-26-19-14/h4-5,7H,3,6H2,1-2H3,(H2,16,18)(H,22,23)