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

Systemtic Name: 5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(4-hydroxy-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H11N3O5S MolecularWeight: 333.31924

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NC1=S

InChI

InChI=1S/C14H11N3O5S/c1-2-5-16-13(20)9(12(19)15-14(16)23)6-8-3-4-11(18)10(7-8)17(21)22/h2-4,6-7,18H,1,5H2,(H,15,19,23)