ethyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-propylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-propylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-oxo-6-propylidene-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-propylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-propylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-propylidene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC

Isomeric SMILES

CCC=C1C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC

InChI

InChI=1S/C17H21BrN2O5/c1-4-6-11-13(16(22)25-5-2)14(20-17(23)19-11)9-7-10(18)15(21)12(8-9)24-3/h6-8,13-14,21H,4-5H2,1-3H3,(H2,19,20,23)