methyl (4R,5S)-4-(5-bromanyl-2,3-dimethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5S)-4-(5-bromanyl-2,3-dimethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(5-bromo-2,3-dimethoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(5-bromo-2,3-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-(5-bromo-2,3-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(5-bromo-2,3-dimethoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C15H17BrN2O5 MolecularWeight: 385.20988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C2C(C(=C)NC(=O)N2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OC)OC

InChI

InChI=1S/C15H17BrN2O5/c1-7-11(14(19)23-4)12(18-15(20)17-7)9-5-8(16)6-10(21-2)13(9)22-3/h5-6,11-12H,1H2,2-4H3,(H2,17,18,20)/t11-,12+/m1/s1