2-[[(E)-but-2-enoyl]amino]-5-methyl-benzoate

Systemtic Name: 2-[[(E)-but-2-enoyl]amino]-5-methyl-benzoate Openeye Name: 2-[[(E)-but-2-enoyl]amino]-5-methyl-benzoate CAS Name: 5-methyl-2-[[(E)-1-oxobut-2-enyl]amino]benzoate IUPAC Name: 2-[[(E)-but-2-enoyl]amino]-5-methylbenzoate Traditional Name: 2-[[(E)-but-2-enoyl]amino]-5-methyl-benzoate Formula: C12H12NO3- MolecularWeight: 218.22858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=C(C=C(C=C1)C)C(=O)[O-]

Isomeric SMILES

C/C=C/C(=O)NC1=C(C=C(C=C1)C)C(=O)[O-]

InChI

InChI=1S/C12H13NO3/c1-3-4-11(14)13-10-6-5-8(2)7-9(10)12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)/p-1/b4-3+