[2-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] benzoate

Systemtic Name: [2-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] benzoate Openeye Name: [2-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] benzoate CAS Name: benzoic acid [2-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [2-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] benzoate Traditional Name: benzoic acid [2-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C16H12N4O2 MolecularWeight: 292.29208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=NN3C=NN=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=N/N3C=NN=C3

InChI

InChI=1S/C16H12N4O2/c21-16(13-6-2-1-3-7-13)22-15-9-5-4-8-14(15)10-19-20-11-17-18-12-20/h1-12H/b19-10+