ethyl 2-[4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-2-iodanyl-6-methoxy-phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]-2-iodo-6-methoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-2-iodo-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(3-nitrophenyl)prop-1-enyl]-2-iodo-6-methoxy-phenoxy]acetic acid ethyl ester Formula: C21H17IN2O7 MolecularWeight: 536.27335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1I)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1I)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17IN2O7/c1-3-30-19(25)12-31-21-17(22)8-13(9-18(21)29-2)7-15(11-23)20(26)14-5-4-6-16(10-14)24(27)28/h4-10H,3,12H2,1-2H3/b15-7+