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

Systemtic Name: 2-[2-bromanyl-4-[(4S,5R)-5-ethoxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-6-methoxy-phenoxy]ethanoate Openeye Name: 2-[2-bromo-4-[(4S,5R)-5-ethoxycarbonyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl]-6-methoxy-phenoxy]acetate CAS Name: 2-[2-bromo-4-[(4S,5R)-5-ethoxycarbonyl-6-methylene-2-oxo-1,3-diazinan-4-yl]-6-methoxyphenoxy]acetate IUPAC Name: 2-[2-bromo-4-[(4S,5R)-5-ethoxycarbonyl-6-methylidene-2-oxo-1,3-diazinan-4-yl]-6-methoxyphenoxy]acetate Traditional Name: 2-[2-bromo-4-[(4S,5R)-5-carbethoxy-2-keto-6-methylene-hexahydropyrimidin-4-yl]-6-methoxy-phenoxy]acetate Formula: C17H18BrN2O7- MolecularWeight: 442.23802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C(=C2)Br)OCC(=O)[O-])OC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C(=C2)Br)OCC(=O)[O-])OC

InChI

InChI=1S/C17H19BrN2O7/c1-4-26-16(23)13-8(2)19-17(24)20-14(13)9-5-10(18)15(11(6-9)25-3)27-7-12(21)22/h5-6,13-14H,2,4,7H2,1,3H3,(H,21,22)(H2,19,20,24)/p-1/t13-,14+/m0/s1