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

Systemtic Name: dimethyl 2-[[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H18BrNO8 MolecularWeight: 480.26282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C(=O)OC)C(=O)OC)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C(=O)OC)C(=O)OC)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrNO8/c1-27-17-10-13(8-15(19(23)28-2)20(24)29-3)9-16(21)18(17)30-11-12-4-6-14(7-5-12)22(25)26/h4-10H,11H2,1-3H3