6-[2-azanyl-5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2-azanyl-5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(4-nitrobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C23H17BrN4O5 MolecularWeight: 509.30888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-])N)Br

Isomeric SMILES

C1=CC=C(C(=C1)OC2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-])N)Br

InChI

InChI=1S/C23H17BrN4O5/c24-18-3-1-2-4-20(18)33-21-12-26-23(25)27-22(21)17-10-9-16(11-19(17)29)32-13-14-5-7-15(8-6-14)28(30)31/h1-12H,13H2,(H3,25,26,27)