(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl benzoate

Systemtic Name: (6-phenyl-1,2,4,5-tetrazin-3-yl)methyl benzoate Openeye Name: (6-phenyl-1,2,4,5-tetrazin-3-yl)methyl benzoate CAS Name: benzoic acid (6-phenyl-1,2,4,5-tetrazin-3-yl)methyl ester IUPAC Name: (6-phenyl-1,2,4,5-tetrazin-3-yl)methyl benzoate Traditional Name: benzoic acid (6-phenyl-1,2,4,5-tetrazin-3-yl)methyl ester Formula: C16H12N4O2 MolecularWeight: 292.29208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N=N2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N=N2)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H12N4O2/c21-16(13-9-5-2-6-10-13)22-11-14-17-19-15(20-18-14)12-7-3-1-4-8-12/h1-10H,11H2