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

Systemtic Name: 2-methoxyethyl (4R,5S)-4-(4-bromanyl-3-nitro-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4R,5S)-4-(4-bromo-3-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-bromo-3-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R,5S)-4-(4-bromo-3-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-bromo-3-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C15H16BrN3O6 MolecularWeight: 414.20804

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H16BrN3O6/c1-8-12(14(20)25-6-5-24-2)13(18-15(21)17-8)9-3-4-10(16)11(7-9)19(22)23/h3-4,7,12-13H,1,5-6H2,2H3,(H2,17,18,21)/t12-,13+/m1/s1