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

Systemtic Name: ethyl 2-chloranyl-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-2-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H13ClN4O3 MolecularWeight: 344.75242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O3/c1-2-23-16(22)13-7-11(3-5-14(13)17)15-6-4-12(24-15)8-20-21-9-18-19-10-21/h3-10H,2H2,1H3/b20-8+