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

Systemtic Name: 5-[(5-nitro-2-propoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-nitro-2-propoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-nitro-2-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-nitro-2-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-nitro-2-propoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C14H13N3O5S/c1-2-5-22-11-4-3-9(17(20)21)6-8(11)7-10-12(18)15-14(23)16-13(10)19/h3-4,6-7H,2,5H2,1H3,(H2,15,16,18,19,23)