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

Systemtic Name: 4-(4-chlorophenyl)-6-ethanoyl-1,3-dihydro-1,2,4,5-tetrazine-2-carbaldehyde Openeye Name: 6-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carbaldehyde CAS Name: 6-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carboxaldehyde IUPAC Name: 6-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carbaldehyde Traditional Name: 6-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carbaldehyde Formula: C11H11ClN4O2 MolecularWeight: 266.68364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN4O2/c1-8(18)11-13-15(7-17)6-16(14-11)10-4-2-9(12)3-5-10/h2-5,7H,6H2,1H3,(H,13,14)