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

Systemtic Name: 5-[[5-(2,5-dimethyl-3-nitro-phenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[5-(2,5-dimethyl-3-nitro-phenyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[5-(2,5-dimethyl-3-nitrophenyl)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[5-(2,5-dimethyl-3-nitro-phenyl)-2-furyl]methylene]barbituric acid Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-8-5-11(9(2)13(6-8)20(24)25)14-4-3-10(26-14)7-12-15(21)18-17(23)19-16(12)22/h3-7H,1-2H3,(H2,18,19,21,22,23)