methyl 5-(4-ethanoylphenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: methyl 5-(4-ethanoylphenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 5-(4-acetylphenyl)-6-isopropyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 5-(4-acetylphenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-acetylphenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 5-(4-acetylphenyl)-6-isopropyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1NN(C(=NN1C2=CC=C(C=C2)C(=O)C)C(=O)OC)C

Isomeric SMILES

CC(C)C1NN(C(=NN1C2=CC=C(C=C2)C(=O)C)C(=O)OC)C

InChI

InChI=1S/C16H22N4O3/c1-10(2)14-17-19(4)15(16(22)23-5)18-20(14)13-8-6-12(7-9-13)11(3)21/h6-10,14,17H,1-5H3