3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoate Formula: C14H9N4O3- MolecularWeight: 281.24626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C=NN3C=NN=C3

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)/C=N/N3C=NN=C3

InChI

InChI=1S/C14H10N4O3/c19-14(20)11-3-1-2-10(6-11)13-5-4-12(21-13)7-17-18-8-15-16-9-18/h1-9H,(H,19,20)/p-1/b17-7+