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

Systemtic Name: 5-[(3-methoxy-5-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-methoxy-5-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(4-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=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)CC=C

InChI

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