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

Systemtic Name: 2-[4-[3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(3-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid CAS Name: 2-[4-[3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid IUPAC Name: 2-[4-[3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid Traditional Name: 2-[4-[3-(3-chloro-2-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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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)