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

Systemtic Name: 4-[[2-[3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C24H17BrN2O4 MolecularWeight: 477.30678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17BrN2O4/c25-20-5-3-6-21(13-20)27-23(28)19(14-26)12-18-4-1-2-7-22(18)31-15-16-8-10-17(11-9-16)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)