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

Systemtic Name: 5-[[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[3-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]barbituric acid Formula: C19H14BrN3O7 MolecularWeight: 476.23436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3O7/c1-29-15-8-11(6-13-17(24)21-19(26)22-18(13)25)7-14(20)16(15)30-9-10-2-4-12(5-3-10)23(27)28/h2-8H,9H2,1H3,(H2,21,22,24,25,26)