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

Systemtic Name: ethyl 2-[4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(3-nitrophenyl)prop-1-enyl]-2-ethoxy-phenoxy]acetic acid ethyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)OCC

InChI

InChI=1S/C22H20N2O7/c1-3-29-20-11-15(8-9-19(20)31-14-21(25)30-4-2)10-17(13-23)22(26)16-6-5-7-18(12-16)24(27)28/h5-12H,3-4,14H2,1-2H3/b17-10+