4-[[(1E)-buta-1,3-dienyl]carbamoyloxymethyl]benzoic acid

Systemtic Name: 4-[[(1E)-buta-1,3-dienyl]carbamoyloxymethyl]benzoic acid Openeye Name: 4-[[(1E)-buta-1,3-dienyl]carbamoyloxymethyl]benzoic acid CAS Name: 4-[[[[(1E)-buta-1,3-dienyl]amino]-oxomethoxy]methyl]benzoic acid IUPAC Name: 4-[[(1E)-buta-1,3-dienyl]carbamoyloxymethyl]benzoic acid Traditional Name: 4-[[(1E)-buta-1,3-dienyl]carbamoyloxymethyl]benzoic acid Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC=CNC(=O)OCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C=C/C=C/NC(=O)OCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H13NO4/c1-2-3-8-14-13(17)18-9-10-4-6-11(7-5-10)12(15)16/h2-8H,1,9H2,(H,14,17)(H,15,16)/b8-3+