5-[[3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-bromo-5-ethoxy-4-(4-nitrobenzyl)oxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H16BrN3O6S MolecularWeight: 506.32654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN3O6S/c1-2-29-16-9-12(7-14-18(25)22-20(31)23-19(14)26)8-15(21)17(16)30-10-11-3-5-13(6-4-11)24(27)28/h3-9H,2,10H2,1H3,(H2,22,23,25,26,31)