(E)-4-[1-(2-methylphenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[1-(2-methylphenyl)ethylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1-(o-tolyl)ethylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[1-(2-methylphenyl)ethylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[1-(2-methylphenyl)ethylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[1-(o-tolyl)ethylamino]but-2-enoic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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