1-(furan-2-ylmethyl)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(furan-2-ylmethyl)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2-furylmethyl)-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-furanylmethyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(furan-2-ylmethyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2-furfuryl)-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)barbituric acid Formula: C17H13N3O8 MolecularWeight: 387.30042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3

InChI

InChI=1S/C17H13N3O8/c1-27-13-7-9(6-12(14(13)21)20(25)26)5-11-15(22)18-17(24)19(16(11)23)8-10-3-2-4-28-10/h2-7,21H,8H2,1H3,(H,18,22,24)