1-[4-(4-chlorophenyl)-2-ethanoyl-1,3-dihydro-1,2,4,5-tetrazin-6-yl]ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)-2-ethanoyl-1,3-dihydro-1,2,4,5-tetrazin-6-yl]ethanone Openeye Name: 1-[2-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazin-6-yl]ethanone CAS Name: 1-[2-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazin-6-yl]ethanone IUPAC Name: 1-[2-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazin-6-yl]ethanone Traditional Name: 1-[2-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazin-6-yl]ethanone Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(CN(N1)C(=O)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)C1=NN(CN(N1)C(=O)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN4O2/c1-8(18)12-14-16(9(2)19)7-17(15-12)11-5-3-10(13)4-6-11/h3-6H,7H2,1-2H3,(H,14,15)