2-(3-methylbut-2-enoylamino)benzoic acid

Systemtic Name: 2-(3-methylbut-2-enoylamino)benzoic acid Openeye Name: 2-(3-methylbut-2-enoylamino)benzoic acid CAS Name: 2-[(3-methyl-1-oxobut-2-enyl)amino]benzoic acid IUPAC Name: 2-(3-methylbut-2-enoylamino)benzoic acid Traditional Name: 2-(3-methylbut-2-enoylamino)benzoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C

Isomeric SMILES

CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C

InChI

InChI=1S/C12H13NO3/c1-8(2)7-11(14)13-10-6-4-3-5-9(10)12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)