2-(5-ethoxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl)-4-nitro-phenolate

Systemtic Name: 2-(5-ethoxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl)-4-nitro-phenolate Openeye Name: 2-(5-ethoxycarbonyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl)-4-nitro-phenolate CAS Name: 2-(5-ethoxycarbonyl-6-methylene-2-oxo-1,3-diazinan-4-yl)-4-nitrophenolate IUPAC Name: 2-(5-ethoxycarbonyl-6-methylidene-2-oxo-1,3-diazinan-4-yl)-4-nitrophenolate Traditional Name: 2-(5-carbethoxy-2-keto-6-methylene-hexahydropyrimidin-4-yl)-4-nitro-phenolate Formula: C14H14N3O6- MolecularWeight: 320.27746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c1-3-23-13(19)11-7(2)15-14(20)16-12(11)9-6-8(17(21)22)4-5-10(9)18/h4-6,11-12,18H,2-3H2,1H3,(H2,15,16,20)/p-1