4-[[3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one

Systemtic Name: 4-[[3-bromanyl-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one Openeye Name: 4-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-3-methyl-isoxazol-5-one CAS Name: 4-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-5-isoxazolone IUPAC Name: 4-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one Traditional Name: 4-[3-bromo-5-ethoxy-4-(4-nitrobenzyl)oxy-benzylidene]-3-methyl-2-isoxazolin-5-one Formula: C20H17BrN2O6 MolecularWeight: 461.26278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NOC2=O)C)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=NOC2=O)C)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN2O6/c1-3-27-18-10-14(8-16-12(2)22-29-20(16)24)9-17(21)19(18)28-11-13-4-6-15(7-5-13)23(25)26/h4-10H,3,11H2,1-2H3