5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(2,4-dinitrophenoxy)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(2,4-dinitrophenoxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H10N4O7S MolecularWeight: 414.3489

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H10N4O7S/c22-15-12(16(23)19-17(29)18-15)7-9-1-4-11(5-2-9)28-14-6-3-10(20(24)25)8-13(14)21(26)27/h1-8H,(H2,18,19,22,23,29)