[(1R,8R,8aS)-8-oxidanyl-3-oxidanylidene-2,5,8,8a-tetrahydro-1H-indolizin-1-yl] benzoate

Systemtic Name: [(1R,8R,8aS)-8-oxidanyl-3-oxidanylidene-2,5,8,8a-tetrahydro-1H-indolizin-1-yl] benzoate Openeye Name: [(1R,8R,8aS)-8-hydroxy-3-oxo-2,5,8,8a-tetrahydro-1H-indolizin-1-yl] benzoate CAS Name: benzoic acid [(1R,8R,8aS)-8-hydroxy-3-oxo-2,5,8,8a-tetrahydro-1H-indolizin-1-yl] ester IUPAC Name: [(1R,8R,8aS)-8-hydroxy-3-oxo-2,5,8,8a-tetrahydro-1H-indolizin-1-yl] benzoate Traditional Name: benzoic acid [(1R,8R,8aS)-8-hydroxy-3-keto-2,5,8,8a-tetrahydro-1H-indolizin-1-yl] ester Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C2N1C(=O)CC2OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1C=C[C@H]([C@@H]2N1C(=O)C[C@H]2OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C15H15NO4/c17-11-7-4-8-16-13(18)9-12(14(11)16)20-15(19)10-5-2-1-3-6-10/h1-7,11-12,14,17H,8-9H2/t11-,12-,14+/m1/s1