1-(2,5-dimethoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(2,5-dimethoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2,5-dimethoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2,5-dimethoxyphenyl)-5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2,5-dimethoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2,5-dimethoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]barbituric acid Formula: C17H13N3O7S MolecularWeight: 403.36602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C17H13N3O7S/c1-26-9-3-5-13(27-2)12(7-9)19-16(22)11(15(21)18-17(19)23)8-10-4-6-14(28-10)20(24)25/h3-8H,1-2H3,(H,18,21,23)