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

Systemtic Name: cyanomethyl 4-[5-(1,2,4-triazol-4-yliminomethyl)furan-2-yl]benzoate Openeye Name: cyanomethyl 4-[5-(1,2,4-triazol-4-yliminomethyl)-2-furyl]benzoate CAS Name: 4-[5-(1,2,4-triazol-4-yliminomethyl)-2-furanyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[5-(1,2,4-triazol-4-yliminomethyl)furan-2-yl]benzoate Traditional Name: 4-[5-(1,2,4-triazol-4-yliminomethyl)-2-furyl]benzoic acid cyanomethyl ester Formula: C16H11N5O3 MolecularWeight: 321.29024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=NN3C=NN=C3)C(=O)OCC#N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=NN3C=NN=C3)C(=O)OCC#N

InChI

InChI=1S/C16H11N5O3/c17-7-8-23-16(22)13-3-1-12(2-4-13)15-6-5-14(24-15)9-20-21-10-18-19-11-21/h1-6,9-11H,8H2