pyridin-2-ylmethyl 5,8-bis(chloranyl)-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: pyridin-2-ylmethyl 5,8-bis(chloranyl)-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: 2-pyridylmethyl 5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 2-pyridylmethyl ester Formula: C16H14Cl2N2O4 MolecularWeight: 369.19936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(C(=C2Cl)O)O)Cl)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1CN(CC2=C1C(=C(C(=C2Cl)O)O)Cl)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C16H14Cl2N2O4/c17-12-10-4-6-20(7-11(10)13(18)15(22)14(12)21)16(23)24-8-9-3-1-2-5-19-9/h1-3,5,21-22H,4,6-8H2