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

Systemtic Name: 5-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(2-hydroxy-3-methoxy-5-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H13N3O6S MolecularWeight: 363.34522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)CC=C)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)CC=C)O

InChI

InChI=1S/C15H13N3O6S/c1-3-4-17-14(21)10(13(20)16-15(17)25)6-8-5-9(18(22)23)7-11(24-2)12(8)19/h3,5-7,19H,1,4H2,2H3,(H,16,20,25)