3-(3-chlorophenyl)-6-(phenoxymethyl)-1,2,4,5-tetrazine

Systemtic Name: 3-(3-chlorophenyl)-6-(phenoxymethyl)-1,2,4,5-tetrazine Openeye Name: 3-(3-chlorophenyl)-6-(phenoxymethyl)-1,2,4,5-tetrazine CAS Name: 3-(3-chlorophenyl)-6-(phenoxymethyl)-1,2,4,5-tetrazine IUPAC Name: 3-(3-chlorophenyl)-6-(phenoxymethyl)-1,2,4,5-tetrazine Traditional Name: 3-(3-chlorophenyl)-6-(phenoxymethyl)-1,2,4,5-tetrazine Formula: C15H11ClN4O MolecularWeight: 298.72704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H11ClN4O/c16-12-6-4-5-11(9-12)15-19-17-14(18-20-15)10-21-13-7-2-1-3-8-13/h1-9H,10H2