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

Systemtic Name: 5-[[4-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenoxy]methyl]-2-furoic acid Formula: C24H19BrN2O6 MolecularWeight: 511.32146

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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)Br)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrN2O6/c1-2-31-22-11-15(6-8-20(22)32-14-19-7-9-21(33-19)24(29)30)10-16(13-26)23(28)27-18-5-3-4-17(25)12-18/h3-12H,2,14H2,1H3,(H,27,28)(H,29,30)