pentyl 3,6-dimethyl-3H-1,2,4,5-tetrazine-2-carboxylate

Systemtic Name: pentyl 3,6-dimethyl-3H-1,2,4,5-tetrazine-2-carboxylate Openeye Name: pentyl 3,6-dimethyl-3H-1,2,4,5-tetrazine-2-carboxylate CAS Name: 3,6-dimethyl-3H-1,2,4,5-tetrazine-2-carboxylic acid pentyl ester IUPAC Name: pentyl 3,6-dimethyl-3H-1,2,4,5-tetrazine-2-carboxylate Traditional Name: 3,6-dimethyl-3H-1,2,4,5-tetrazine-2-carboxylic acid amyl ester Formula: C10H18N4O2 MolecularWeight: 226.27552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N1C(N=NC(=N1)C)C

Isomeric SMILES

CCCCCOC(=O)N1C(N=NC(=N1)C)C

InChI

InChI=1S/C10H18N4O2/c1-4-5-6-7-16-10(15)14-9(3)12-11-8(2)13-14/h9H,4-7H2,1-3H3