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

Systemtic Name: 5-[[4-[2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[2-cyano-3-keto-3-(p-anisidino)prop-1-enyl]-2-ethoxy-phenoxy]methyl]-2-furoic acid Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O7/c1-3-32-23-13-16(4-10-21(23)33-15-20-9-11-22(34-20)25(29)30)12-17(14-26)24(28)27-18-5-7-19(31-2)8-6-18/h4-13H,3,15H2,1-2H3,(H,27,28)(H,29,30)