cyclooctyl 4-methylidene-6-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: cyclooctyl 4-methylidene-6-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cyclooctyl 4-(4-hydroxy-3-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl 4-(4-hydroxy-3-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid cyclooctyl ester Formula: C20H25N3O6 MolecularWeight: 403.429

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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)