2-[(3aR,7aS)-7a-methyl-1,3-bis(oxidanylidene)-4,7-dihydro-3aH-isoindol-2-yl]benzoate

Systemtic Name: 2-[(3aR,7aS)-7a-methyl-1,3-bis(oxidanylidene)-4,7-dihydro-3aH-isoindol-2-yl]benzoate Openeye Name: 2-[(3aR,7aS)-7a-methyl-1,3-dioxo-4,7-dihydro-3aH-isoindol-2-yl]benzoate CAS Name: 2-[(3aR,7aS)-7a-methyl-1,3-dioxo-4,7-dihydro-3aH-isoindol-2-yl]benzoate IUPAC Name: 2-[(3aR,7aS)-7a-methyl-1,3-dioxo-4,7-dihydro-3aH-isoindol-2-yl]benzoate Traditional Name: 2-[(3aR,7aS)-1,3-diketo-7a-methyl-4,7-dihydro-3aH-isoindol-2-yl]benzoate Formula: C16H14NO4- MolecularWeight: 284.28666

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=CCC1C(=O)N(C2=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C[C@]12CC=CC[C@H]1C(=O)N(C2=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C16H15NO4/c1-16-9-5-4-7-11(16)13(18)17(15(16)21)12-8-3-2-6-10(12)14(19)20/h2-6,8,11H,7,9H2,1H3,(H,19,20)/p-1/t11-,16-/m0/s1