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

Systemtic Name: 5-[[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H14BrN3O6S MolecularWeight: 492.29996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14BrN3O6S/c1-28-15-8-11(6-13-17(24)21-19(30)22-18(13)25)7-14(20)16(15)29-9-10-2-4-12(5-3-10)23(26)27/h2-8H,9H2,1H3,(H2,21,22,24,25,30)