(5E)-5-[[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-5-[[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-allyl-5-[[5-(4-chloro-3-nitro-phenyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-5-[[5-(4-chloro-3-nitrophenyl)-2-furanyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-allyl-5-[[5-(4-chloro-3-nitro-phenyl)-2-furyl]methylene]barbituric acid Formula: C18H12ClN3O6 MolecularWeight: 401.75738

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NC1=O

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/C(=O)NC1=O

InChI

InChI=1S/C18H12ClN3O6/c1-2-7-21-17(24)12(16(23)20-18(21)25)9-11-4-6-15(28-11)10-3-5-13(19)14(8-10)22(26)27/h2-6,8-9H,1,7H2,(H,20,23,25)/b12-9+