3-bromanylpropyl (4S,5R)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 3-bromanylpropyl (4S,5R)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 3-bromopropyl (4S,5R)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 3-bromopropyl ester IUPAC Name: 3-bromopropyl (4S,5R)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(1,3-benzodioxol-5-yl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 3-bromopropyl ester Formula: C16H17BrN2O5 MolecularWeight: 397.22058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCCBr

Isomeric SMILES

C=C1[C@@H]([C@H](NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCCBr

InChI

InChI=1S/C16H17BrN2O5/c1-9-13(15(20)22-6-2-5-17)14(19-16(21)18-9)10-3-4-11-12(7-10)24-8-23-11/h3-4,7,13-14H,1-2,5-6,8H2,(H2,18,19,21)/t13-,14+/m0/s1