(E)-4-oxidanylidene-4-[[4-(pyridin-4-ylmethyl)phenyl]amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[[4-(pyridin-4-ylmethyl)phenyl]amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[4-(4-pyridylmethyl)anilino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[4-(pyridin-4-ylmethyl)anilino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[4-(pyridin-4-ylmethyl)anilino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(4-pyridylmethyl)anilino]but-2-enoic acid Formula: C16H14N2O3 MolecularWeight: 282.29396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H14N2O3/c19-15(5-6-16(20)21)18-14-3-1-12(2-4-14)11-13-7-9-17-10-8-13/h1-10H,11H2,(H,18,19)(H,20,21)/b6-5+