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

Systemtic Name: 1,3-dimethyl-5-[[5-(3-nitro-4-piperidin-1-yl-phenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[[5-[3-nitro-4-(1-piperidyl)phenyl]-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[5-[3-nitro-4-(1-piperidinyl)phenyl]-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[[5-(3-nitro-4-piperidino-phenyl)-2-furyl]methylene]barbituric acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C22H22N4O6/c1-23-20(27)16(21(28)24(2)22(23)29)13-15-7-9-19(32-15)14-6-8-17(18(12-14)26(30)31)25-10-4-3-5-11-25/h6-9,12-13H,3-5,10-11H2,1-2H3