4-[[2-[2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[2-cyano-3-(4-hydroxyanilino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[2-cyano-3-(4-hydroxyanilino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)O)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)O)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H18N2O5/c25-14-19(23(28)26-20-9-11-21(27)12-10-20)13-18-3-1-2-4-22(18)31-15-16-5-7-17(8-6-16)24(29)30/h1-13,27H,15H2,(H,26,28)(H,29,30)