1-[2,4,6-tris(oxidanylidene)-5-prop-2-enyl-1,3-diazinan-1-yl]pentan-2-yl carbonochloridate

Systemtic Name: 1-[2,4,6-tris(oxidanylidene)-5-prop-2-enyl-1,3-diazinan-1-yl]pentan-2-yl carbonochloridate Openeye Name: 1-[(5-allyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)methyl]butyl carbonochloridate CAS Name: carbonochloridic acid 1-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-1-yl)pentan-2-yl ester IUPAC Name: 1-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-1-yl)pentan-2-yl carbonochloridate Traditional Name: chlorocarbonic acid 1-[(5-allyl-2,4,6-triketo-hexahydropyrimidin-1-yl)methyl]butyl ester Formula: C13H17ClN2O5 MolecularWeight: 316.73748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C(=O)C(C(=O)NC1=O)CC=C)OC(=O)Cl

Isomeric SMILES

CCCC(CN1C(=O)C(C(=O)NC1=O)CC=C)OC(=O)Cl

InChI

InChI=1S/C13H17ClN2O5/c1-3-5-8(21-12(14)19)7-16-11(18)9(6-4-2)10(17)15-13(16)20/h4,8-9H,2-3,5-7H2,1H3,(H,15,17,20)