4-[[4-chloranyl-2-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-chloranyl-2-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-4-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-4-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-4-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-3-anilino-2-cyano-3-keto-prop-1-enyl]-4-chloro-phenoxy]methyl]benzoic acid Formula: C24H17ClN2O4 MolecularWeight: 432.85578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)Cl)OCC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)Cl)OCC3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C24H17ClN2O4/c25-20-10-11-22(31-15-16-6-8-17(9-7-16)24(29)30)18(13-20)12-19(14-26)23(28)27-21-4-2-1-3-5-21/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+