1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3-propoxyphenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3-propoxyphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-propoxyphenyl)triazole-4-carboxylic acid CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-propoxyphenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-propoxyphenyl)triazole-4-carboxylic acid Traditional Name: 1-(4-aminofurazan-3-yl)-5-(3-propoxyphenyl)triazole-4-carboxylic acid Formula: C14H14N6O4 MolecularWeight: 330.29876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O4/c1-2-6-23-9-5-3-4-8(7-9)11-10(14(21)22)16-19-20(11)13-12(15)17-24-18-13/h3-5,7H,2,6H2,1H3,(H2,15,17)(H,21,22)