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

Systemtic Name: ethyl 2-chloranyl-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-3-yl]benzoate Openeye Name: ethyl 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-3-furyl]benzoate CAS Name: 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-3-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]furan-3-yl]benzoate Traditional Name: 2-chloro-5-[5-[(E)-1,2,4-triazol-4-yliminomethyl]-3-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=COC(=C2)C=NN3C=NN=C3)Cl

Isomeric SMILES

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

InChI

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