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

Systemtic Name: 2-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate CAS Name: 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate IUPAC Name: 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Traditional Name: 2-[(3aS,7aS)-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Formula: C15H12NO4- MolecularWeight: 270.26008

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C15H13NO4/c17-13-9-5-1-2-6-10(9)14(18)16(13)12-8-4-3-7-11(12)15(19)20/h1-4,7-10H,5-6H2,(H,19,20)/p-1/t9-,10-/m0/s1