(E)-4-oxidanylidene-4-[(4-propan-2-yloxyphenyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(4-propan-2-yloxyphenyl)amino]but-2-enoic acid Openeye Name: (E)-4-(4-isopropoxyanilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-(4-propan-2-yloxyanilino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(4-propan-2-yloxyanilino)but-2-enoic acid Traditional Name: (E)-4-(4-isopropoxyanilino)-4-keto-but-2-enoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H15NO4/c1-9(2)18-11-5-3-10(4-6-11)14-12(15)7-8-13(16)17/h3-9H,1-2H3,(H,14,15)(H,16,17)/b8-7+