5-[[4-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(3-anilino-2-cyano-3-oxo-prop-1-enyl)-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(3-anilino-2-cyano-3-keto-prop-1-enyl)-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C23H18N2O6 MolecularWeight: 418.39882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C23H18N2O6/c1-29-21-12-15(11-16(13-24)22(26)25-17-5-3-2-4-6-17)7-9-19(21)30-14-18-8-10-20(31-18)23(27)28/h2-12H,14H2,1H3,(H,25,26)(H,27,28)