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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C)OCC3=CC=C(O3)C(=O)O

InChI

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