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

Systemtic Name: 4-[[5-bromanyl-4-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(3-anilino-2-cyano-3-oxo-prop-1-enyl)-5-bromo-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)-5-bromo-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(3-anilino-2-cyano-3-oxoprop-1-enyl)-5-bromo-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(3-anilino-2-cyano-3-keto-prop-1-enyl)-5-bromo-2-methoxy-phenoxy]methyl]benzoic acid Formula: C25H19BrN2O5 MolecularWeight: 507.33276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=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/C25H19BrN2O5/c1-32-22-12-18(11-19(14-27)24(29)28-20-5-3-2-4-6-20)21(26)13-23(22)33-15-16-7-9-17(10-8-16)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)