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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO4/c16-12-7-8(5-6-11(12)15(20)21)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-2,5-7,9-10H,3-4H2,(H,20,21)/p-1/t9-,10-/m1/s1