methyl 6-propanoyl-1,4-dihydro-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: methyl 6-propanoyl-1,4-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 6-propanoyl-1,4-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 6-(1-oxopropyl)-1,4-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-propanoyl-1,4-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 6-propionyl-1,4-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C7H10N4O3 MolecularWeight: 198.1793

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NNC(=NN1)C(=O)OC

Isomeric SMILES

CCC(=O)C1=NNC(=NN1)C(=O)OC

InChI

InChI=1S/C7H10N4O3/c1-3-4(12)5-8-10-6(11-9-5)7(13)14-2/h3H2,1-2H3,(H,8,9)(H,10,11)