methyl 6-ethanoyl-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: methyl 6-ethanoyl-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 6-acetyl-1,2,4,5-tetrazine-3-carboxylate CAS Name: 6-acetyl-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 6-acetyl-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C6H6N4O3 MolecularWeight: 182.13684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN=C(N=N1)C(=O)OC

Isomeric SMILES

CC(=O)C1=NN=C(N=N1)C(=O)OC

InChI

InChI=1S/C6H6N4O3/c1-3(11)4-7-9-5(10-8-4)6(12)13-2/h1-2H3