2-[[(1R,6R)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]benzoate

Systemtic Name: 2-[[(1R,6R)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]benzoate Openeye Name: 2-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]benzoate CAS Name: 2-[[[(1R,6R)-6-carboxylato-1-cyclohex-3-enyl]-oxomethyl]amino]benzoate IUPAC Name: 2-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]benzoate Traditional Name: 2-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]benzoate Formula: C15H13NO5-2 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=CC=C2C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H15NO5/c17-13(9-5-1-2-6-10(9)14(18)19)16-12-8-4-3-7-11(12)15(20)21/h1-4,7-10H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-2/t9-,10-/m1/s1