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

Systemtic Name: 4-[(4R,5S)-6-methylidene-2-oxidanylidene-5-(2-phenoxyethoxycarbonyl)-1,3-diazinan-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R,5S)-6-methylene-2-oxo-5-(2-phenoxyethoxycarbonyl)hexahydropyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R,5S)-6-methylene-2-oxo-5-[oxo(2-phenoxyethoxy)methyl]-1,3-diazinan-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R,5S)-6-methylidene-2-oxo-5-(2-phenoxyethoxycarbonyl)-1,3-diazinan-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R,5S)-2-keto-6-methylene-5-(2-phenoxyethoxycarbonyl)hexahydropyrimidin-4-yl]-2-nitro-phenolate Formula: C20H18N3O7- MolecularWeight: 412.37282

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O7/c1-12-17(19(25)30-10-9-29-14-5-3-2-4-6-14)18(22-20(26)21-12)13-7-8-16(24)15(11-13)23(27)28/h2-8,11,17-18,24H,1,9-10H2,(H2,21,22,26)/p-1/t17-,18+/m1/s1