5-[[2-ethoxy-4-(1,2,4-triazol-4-yliminomethyl)phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2-ethoxy-4-(1,2,4-triazol-4-yliminomethyl)phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-ethoxy-4-(1,2,4-triazol-4-yliminomethyl)phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[2-ethoxy-4-(1,2,4-triazol-4-yliminomethyl)phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-ethoxy-4-(1,2,4-triazol-4-yliminomethyl)phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-ethoxy-4-(1,2,4-triazol-4-yliminomethyl)phenoxy]methyl]-2-furoic acid Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H16N4O5/c1-2-24-16-7-12(8-20-21-10-18-19-11-21)3-5-14(16)25-9-13-4-6-15(26-13)17(22)23/h3-8,10-11H,2,9H2,1H3,(H,22,23)