methyl (5R,6R)-4-methylidene-6-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (5R,6R)-4-methylidene-6-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5R)-4-(2-hydroxy-5-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-(2-hydroxy-5-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R)-4-(2-hydroxy-5-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-4-(2-hydroxy-5-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O6/c1-6-10(12(18)22-2)11(15-13(19)14-6)8-5-7(16(20)21)3-4-9(8)17/h3-5,10-11,17H,1H2,2H3,(H2,14,15,19)/t10-,11-/m0/s1