1-tert-butylperoxy-1H-isoquinoline-2-carboxylate

Systemtic Name: 1-tert-butylperoxy-1H-isoquinoline-2-carboxylate Openeye Name: 1-tert-butylperoxy-1H-isoquinoline-2-carboxylate CAS Name: 1-tert-butyldioxy-1H-isoquinoline-2-carboxylate IUPAC Name: 1-tert-butylperoxy-1H-isoquinoline-2-carboxylate Traditional Name: 1-tert-butylperoxy-1H-isoquinoline-2-carboxylate Formula: C14H16NO4- MolecularWeight: 262.28114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OOC1C2=CC=CC=C2C=CN1C(=O)[O-]

Isomeric SMILES

CC(C)(C)OOC1C2=CC=CC=C2C=CN1C(=O)[O-]

InChI

InChI=1S/C14H17NO4/c1-14(2,3)19-18-12-11-7-5-4-6-10(11)8-9-15(12)13(16)17/h4-9,12H,1-3H3,(H,16,17)/p-1