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

Systemtic Name: 5-[[5-(2-methyl-3-nitro-phenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[5-(2-methyl-3-nitro-phenyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[5-(2-methyl-3-nitrophenyl)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[5-(2-methyl-3-nitro-phenyl)-2-furyl]methylene]barbituric acid Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O6/c1-8-10(3-2-4-12(8)19(23)24)13-6-5-9(25-13)7-11-14(20)17-16(22)18-15(11)21/h2-7H,1H3,(H2,17,18,20,21,22)