3-[(3aR,7aR)-5-chloranyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate

Systemtic Name: 3-[(3aR,7aR)-5-chloranyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: 3-[(3aR,7aR)-5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate CAS Name: 3-[(3aR,7aR)-5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate IUPAC Name: 3-[(3aR,7aR)-5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Traditional Name: 3-[(3aR,7aR)-5-chloro-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Formula: C15H11ClNO4- MolecularWeight: 304.70514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)[O-])Cl

Isomeric SMILES

C1C=C(C[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)[O-])Cl

InChI

InChI=1S/C15H12ClNO4/c16-9-4-5-11-12(7-9)14(19)17(13(11)18)10-3-1-2-8(6-10)15(20)21/h1-4,6,11-12H,5,7H2,(H,20,21)/p-1/t11-,12-/m1/s1