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

Systemtic Name: prop-2-enyl 2-chloranyl-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Openeye Name: allyl 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furanyl]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-2-furyl]benzoic acid allyl ester Formula: C17H13ClN4O3 MolecularWeight: 356.76312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O3/c1-2-7-24-17(23)14-8-12(3-5-15(14)18)16-6-4-13(25-16)9-21-22-10-19-20-11-22/h2-6,8-11H,1,7H2/b21-9+