2-[4-[(E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(E)-3-(3-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate IUPAC Name: 2-[4-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-3-(3-chloro-2-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenoxy]acetate Formula: C21H18ClN2O5- MolecularWeight: 413.83102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C(=CC=C2)Cl)C)OCC(=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CC=C2)Cl)C)OCC(=O)[O-]

InChI

InChI=1S/C21H19ClN2O5/c1-3-28-19-10-14(7-8-18(19)29-12-20(25)26)9-15(11-23)21(27)24-17-6-4-5-16(22)13(17)2/h4-10H,3,12H2,1-2H3,(H,24,27)(H,25,26)/p-1/b15-9+