4-chloranyl-2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate

Systemtic Name: 4-chloranyl-2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Openeye Name: 4-chloro-2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoate CAS Name: 4-chloro-2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzoate IUPAC Name: 4-chloro-2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Traditional Name: 4-chloro-2-[5-[(Z)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoate Formula: C14H8ClN4O3- MolecularWeight: 315.69132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C2=CC=C(O2)C=NN3C=NN=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)C2=CC=C(O2)/C=N\N3C=NN=C3)C(=O)[O-]

InChI

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