diethyl 2-[[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioate Openeye Name: diethyl 2-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]propanedioate CAS Name: 2-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioate Traditional Name: 2-[3-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]malonic acid diethyl ester Formula: C22H22BrNO8 MolecularWeight: 508.31598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)[N+](=O)[O-])OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)[N+](=O)[O-])OC)C(=O)OCC

InChI

InChI=1S/C22H22BrNO8/c1-4-30-21(25)17(22(26)31-5-2)10-15-11-18(23)20(19(12-15)29-3)32-13-14-6-8-16(9-7-14)24(27)28/h6-12H,4-5,13H2,1-3H3