2-[(4R,5R)-5-methoxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-4-nitro-phenolate

Systemtic Name: 2-[(4R,5R)-5-methoxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4R,5R)-5-methoxycarbonyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl]-4-nitro-phenolate CAS Name: 2-[(4R,5R)-5-methoxycarbonyl-6-methylene-2-oxo-1,3-diazinan-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4R,5R)-5-methoxycarbonyl-6-methylidene-2-oxo-1,3-diazinan-4-yl]-4-nitrophenolate Traditional Name: 2-[(4R,5R)-5-carbomethoxy-2-keto-6-methylene-hexahydropyrimidin-4-yl]-4-nitro-phenolate Formula: C13H12N3O6- MolecularWeight: 306.25088

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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)/p-1/t10-,11-/m0/s1