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

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-ethanoyl-1,3-dihydro-1,2,4,5-tetrazine-2-carboxylate Openeye Name: ethyl 6-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carboxylate CAS Name: 6-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carboxylate Traditional Name: 6-acetyl-4-(4-chlorophenyl)-1,3-dihydro-1,2,4,5-tetrazine-2-carboxylic acid ethyl ester Formula: C13H15ClN4O3 MolecularWeight: 310.7362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CN(N=C(N1)C(=O)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)N1CN(N=C(N1)C(=O)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN4O3/c1-3-21-13(20)18-8-17(15-12(16-18)9(2)19)11-6-4-10(14)5-7-11/h4-7H,3,8H2,1-2H3,(H,15,16)