2-[5-bromanyl-2-methoxy-4-[(4R,5S)-5-methoxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]phenoxy]ethanoate

Systemtic Name: 2-[5-bromanyl-2-methoxy-4-[(4R,5S)-5-methoxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]phenoxy]ethanoate Openeye Name: 2-[5-bromo-2-methoxy-4-[(4R,5S)-5-methoxycarbonyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl]phenoxy]acetate CAS Name: 2-[5-bromo-2-methoxy-4-[(4R,5S)-5-methoxycarbonyl-6-methylene-2-oxo-1,3-diazinan-4-yl]phenoxy]acetate IUPAC Name: 2-[5-bromo-2-methoxy-4-[(4R,5S)-5-methoxycarbonyl-6-methylidene-2-oxo-1,3-diazinan-4-yl]phenoxy]acetate Traditional Name: 2-[5-bromo-4-[(4R,5S)-5-carbomethoxy-2-keto-6-methylene-hexahydropyrimidin-4-yl]-2-methoxy-phenoxy]acetate Formula: C16H16BrN2O7- MolecularWeight: 428.21144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C(C(=C)NC(=O)N2)C(=O)OC)Br)OCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O7/c1-7-13(15(22)25-3)14(19-16(23)18-7)8-4-10(24-2)11(5-9(8)17)26-6-12(20)21/h4-5,13-14H,1,6H2,2-3H3,(H,20,21)(H2,18,19,23)/p-1/t13-,14+/m1/s1