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

Systemtic Name: 4-(5-cyclooctyloxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl)-2-nitro-phenolate Openeye Name: 4-[5-(cyclooctoxycarbonyl)-6-methylene-2-oxo-hexahydropyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[5-[cyclooctyloxy(oxo)methyl]-6-methylene-2-oxo-1,3-diazinan-4-yl]-2-nitrophenolate IUPAC Name: 4-(5-cyclooctyloxycarbonyl-6-methylidene-2-oxo-1,3-diazinan-4-yl)-2-nitrophenolate Traditional Name: 4-[5-(cyclooctoxycarbonyl)-2-keto-6-methylene-hexahydropyrimidin-4-yl]-2-nitro-phenolate Formula: C20H24N3O6- MolecularWeight: 402.42106

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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)OC3CCCCCCC3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OC3CCCCCCC3

InChI

InChI=1S/C20H25N3O6/c1-12-17(19(25)29-14-7-5-3-2-4-6-8-14)18(22-20(26)21-12)13-9-10-16(24)15(11-13)23(27)28/h9-11,14,17-18,24H,1-8H2,(H2,21,22,26)/p-1