2-ethylbutyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylbutyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylbutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-hexahydropyrimidine-5-carboxylic acid 2-ethylbutyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C1C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C

Isomeric SMILES

CCC(CC)COC(=O)C1C(NC(=O)NC1C2=CC3=C(C=C2Br)OCO3)C

InChI

InChI=1S/C19H25BrN2O5/c1-4-11(5-2)8-25-18(23)16-10(3)21-19(24)22-17(16)12-6-14-15(7-13(12)20)27-9-26-14/h6-7,10-11,16-17H,4-5,8-9H2,1-3H3,(H2,21,22,24)