5-[[2-(azepan-1-yl)-5-nitro-phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[2-(azepan-1-yl)-5-nitro-phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2-(azepan-1-yl)-5-nitro-phenyl]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-(1-azepanyl)-5-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2-(azepan-1-yl)-5-nitrophenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[2-(azepan-1-yl)-5-nitro-benzylidene]-1,3-dimethyl-barbituric acid Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3)C(=O)N(C1=O)C

InChI

InChI=1S/C19H22N4O5/c1-20-17(24)15(18(25)21(2)19(20)26)12-13-11-14(23(27)28)7-8-16(13)22-9-5-3-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3