(E)-4-oxidanylidene-4-[(3,4,5-trimethoxyphenyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(3,4,5-trimethoxyphenyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-(3,4,5-trimethoxyanilino)but-2-enoic acid CAS Name: (E)-4-oxo-4-(3,4,5-trimethoxyanilino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(3,4,5-trimethoxyanilino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(3,4,5-trimethoxyanilino)but-2-enoic acid Formula: C13H15NO6 MolecularWeight: 281.2613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C=CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H15NO6/c1-18-9-6-8(7-10(19-2)13(9)20-3)14-11(15)4-5-12(16)17/h4-7H,1-3H3,(H,14,15)(H,16,17)/b5-4+