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

Systemtic Name: dimethyl 2-[[3-ethoxy-5-iodanyl-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioate Openeye Name: dimethyl 2-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylene]propanedioate CAS Name: 2-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-ethoxy-5-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioate Traditional Name: 2-[3-ethoxy-5-iodo-4-(4-nitrobenzyl)oxy-benzylidene]malonic acid dimethyl ester Formula: C21H20INO8 MolecularWeight: 541.28987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C(=O)OC)C(=O)OC)I)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C(=O)OC)C(=O)OC)I)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H20INO8/c1-4-30-18-11-14(9-16(20(24)28-2)21(25)29-3)10-17(22)19(18)31-12-13-5-7-15(8-6-13)23(26)27/h5-11H,4,12H2,1-3H3