4-(4-chlorophenyl)-6-(phenylcarbonyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carbaldehyde

Systemtic Name: 4-(4-chlorophenyl)-6-(phenylcarbonyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carbaldehyde Openeye Name: 6-benzoyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carbaldehyde CAS Name: 6-benzoyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carboxaldehyde IUPAC Name: 6-benzoyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carbaldehyde Traditional Name: 6-benzoyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carbaldehyde Formula: C16H13ClN4O2 MolecularWeight: 328.75302

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Descriptors Computed from Structure

Canonical SMILES:

C1N(NC(=NN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C=O

Isomeric SMILES

C1N(NC(=NN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C=O

InChI

InChI=1S/C16H13ClN4O2/c17-13-6-8-14(9-7-13)21-10-20(11-22)18-16(19-21)15(23)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)