3-methyl-4-[(4-methylphenyl)methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 3-methyl-4-[(4-methylphenyl)methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 3-methyl-4-oxo-4-(p-tolylmethylamino)but-2-enoic acid CAS Name: 3-methyl-4-[(4-methylphenyl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: 3-methyl-4-[(4-methylphenyl)methylamino]-4-oxobut-2-enoic acid Traditional Name: 4-keto-3-methyl-4-[(4-methylbenzyl)amino]but-2-enoic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(=CC(=O)O)C

InChI

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