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

Systemtic Name: (E)-4-oxidanylidene-4-[(2,4,5-trimethylphenyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-(2,4,5-trimethylanilino)but-2-enoic acid CAS Name: (E)-4-oxo-4-(2,4,5-trimethylanilino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(2,4,5-trimethylanilino)but-2-enoic acid Traditional Name: (E)-4-keto-4-pseudocumidino-but-2-enoic acid Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=O)C=CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C13H15NO3/c1-8-6-10(3)11(7-9(8)2)14-12(15)4-5-13(16)17/h4-7H,1-3H3,(H,14,15)(H,16,17)/b5-4+