5-[[4-[2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-2-ethoxy-phenoxy]methyl]-2-furoic acid Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C25H22N2O6/c1-3-31-23-13-17(7-9-21(23)32-15-20-8-10-22(33-20)25(29)30)12-18(14-26)24(28)27-19-6-4-5-16(2)11-19/h4-13H,3,15H2,1-2H3,(H,27,28)(H,29,30)