(E)-4-[methyl-[(2-methylphenyl)methyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[methyl-[(2-methylphenyl)methyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[methyl(o-tolylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[methyl-[(2-methylphenyl)methyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[methyl-[(2-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[methyl-(2-methylbenzyl)amino]but-2-enoic acid Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H15NO3/c1-10-5-3-4-6-11(10)9-14(2)12(15)7-8-13(16)17/h3-8H,9H2,1-2H3,(H,16,17)/b8-7+