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

Systemtic Name: 3-[(3aR,7aR)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-bromanyl-benzoate Openeye Name: 3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-bromo-benzoate CAS Name: 3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-bromobenzoate IUPAC Name: 3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-bromobenzoate Traditional Name: 3-[(3aR,7aR)-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-bromo-benzoate Formula: C15H11BrNO4- MolecularWeight: 349.15614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO4/c16-11-6-5-8(15(20)21)7-12(11)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