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

Systemtic Name: 1,3-diethyl-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diethyl-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diethyl-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-diethyl-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-(4-hydroxy-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H15N3O5S MolecularWeight: 349.3617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)N(C1=S)CC

InChI

InChI=1S/C15H15N3O5S/c1-3-16-13(20)10(14(21)17(4-2)15(16)24)7-9-5-6-12(19)11(8-9)18(22)23/h5-8,19H,3-4H2,1-2H3