methyl 5-(4-bromophenyl)-6-ethyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: methyl 5-(4-bromophenyl)-6-ethyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 5-(4-bromophenyl)-6-ethyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 5-(4-bromophenyl)-6-ethyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-bromophenyl)-6-ethyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 5-(4-bromophenyl)-6-ethyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C13H17BrN4O2 MolecularWeight: 341.20368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1NN(C(=NN1C2=CC=C(C=C2)Br)C(=O)OC)C

Isomeric SMILES

CCC1NN(C(=NN1C2=CC=C(C=C2)Br)C(=O)OC)C

InChI

InChI=1S/C13H17BrN4O2/c1-4-11-15-17(2)12(13(19)20-3)16-18(11)10-7-5-9(14)6-8-10/h5-8,11,15H,4H2,1-3H3