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

Systemtic Name: propan-2-yl 4-chloranyl-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Openeye Name: isopropyl 4-chloro-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoate CAS Name: 4-chloro-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Traditional Name: 4-chloro-2-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoic acid isopropyl ester Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O3/c1-11(2)24-17(23)14-5-3-12(18)7-15(14)16-6-4-13(25-16)8-21-22-9-19-20-10-22/h3-11H,1-2H3/b21-8+