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

Systemtic Name: 4-[(4R,5S)-6-methylidene-2-oxidanylidene-5-propoxycarbonyl-1,3-diazinan-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R,5S)-6-methylene-2-oxo-5-propoxycarbonyl-hexahydropyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R,5S)-6-methylene-2-oxo-5-[oxo(propoxy)methyl]-1,3-diazinan-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R,5S)-6-methylidene-2-oxo-5-propoxycarbonyl-1,3-diazinan-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R,5S)-2-keto-6-methylene-5-propoxycarbonyl-hexahydropyrimidin-4-yl]-2-nitro-phenolate Formula: C15H16N3O6- MolecularWeight: 334.30404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-3-6-24-14(20)12-8(2)16-15(21)17-13(12)9-4-5-11(19)10(7-9)18(22)23/h4-5,7,12-13,19H,2-3,6H2,1H3,(H2,16,17,21)/p-1/t12-,13+/m1/s1