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

Systemtic Name: 5-[[5-(2-methoxy-4-nitro-phenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(2-methoxy-4-nitrophenyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H11N3O6S MolecularWeight: 373.34004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H11N3O6S/c1-24-13-6-8(19(22)23)2-4-10(13)12-5-3-9(25-12)7-11-14(20)17-16(26)18-15(11)21/h2-7H,1H3,(H2,17,18,20,21,26)