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

Systemtic Name: 4-chloranyl-3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid Openeye Name: 4-chloro-3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoic acid CAS Name: 4-chloro-3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzoic acid IUPAC Name: 4-chloro-3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoic acid Traditional Name: 4-chloro-3-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoic acid Formula: C14H9ClN4O3 MolecularWeight: 316.69926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)C=NN3C=NN=C3)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)/C=N/N3C=NN=C3)Cl

InChI

InChI=1S/C14H9ClN4O3/c15-12-3-1-9(14(20)21)5-11(12)13-4-2-10(22-13)6-18-19-7-16-17-8-19/h1-8H,(H,20,21)/b18-6+