5-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(2-hydroxy-3,5-dinitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(2-hydroxy-3,5-dinitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H10N4O7S MolecularWeight: 378.3168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC1=S

InChI

InChI=1S/C14H10N4O7S/c1-2-3-16-13(21)9(12(20)15-14(16)26)5-7-4-8(17(22)23)6-10(11(7)19)18(24)25/h2,4-6,19H,1,3H2,(H,15,20,26)