5-[[(1S,6S)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]-2-chloranyl-benzoate

Systemtic Name: 5-[[(1S,6S)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]-2-chloranyl-benzoate Openeye Name: 5-[[(1S,6S)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]-2-chloro-benzoate CAS Name: 5-[[[(1S,6S)-6-carboxylato-1-cyclohex-3-enyl]-oxomethyl]amino]-2-chlorobenzoate IUPAC Name: 5-[[(1S,6S)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]-2-chlorobenzoate Traditional Name: 5-[[(1S,6S)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]-2-chloro-benzoate Formula: C15H12ClNO5-2 MolecularWeight: 321.71248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC(=C(C=C2)Cl)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NC2=CC(=C(C=C2)Cl)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H14ClNO5/c16-12-6-5-8(7-11(12)15(21)22)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,17,18)(H,19,20)(H,21,22)/p-2/t9-,10-/m0/s1