4-[[2-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-[(2-cyanoacetyl)hydrazono]methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(E)-[(2-cyano-1-oxoethyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-[(2-cyanoacetyl)hydrazono]methyl]phenoxy]methyl]benzoic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)CC#N)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)CC#N)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H15N3O4/c19-10-9-17(22)21-20-11-15-3-1-2-4-16(15)25-12-13-5-7-14(8-6-13)18(23)24/h1-8,11H,9,12H2,(H,21,22)(H,23,24)/b20-11+