[1,6,8-tris(oxidanyl)-1,8a-dihydroindolizin-7-yl] 4-methylbenzoate

Systemtic Name: [1,6,8-tris(oxidanyl)-1,8a-dihydroindolizin-7-yl] 4-methylbenzoate Openeye Name: (1,6,8-trihydroxy-1,8a-dihydroindolizin-7-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (1,6,8-trihydroxy-1,8a-dihydroindolizin-7-yl) ester IUPAC Name: (1,6,8-trihydroxy-1,8a-dihydroindolizin-7-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (1,6,8-trihydroxy-1,8a-dihydroindolizin-7-yl) ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C3C(C=CN3C=C2O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C3C(C=CN3C=C2O)O)O

InChI

InChI=1S/C16H15NO5/c1-9-2-4-10(5-3-9)16(21)22-15-12(19)8-17-7-6-11(18)13(17)14(15)20/h2-8,11,13,18-20H,1H3