dimethyl 1,3-bis(chloranyl)-8-(4-methylphenyl)-5-oxidanyl-isoquinoline-6,7-dicarboxylate

Systemtic Name: dimethyl 1,3-bis(chloranyl)-8-(4-methylphenyl)-5-oxidanyl-isoquinoline-6,7-dicarboxylate Openeye Name: dimethyl 1,3-dichloro-5-hydroxy-8-(p-tolyl)isoquinoline-6,7-dicarboxylate CAS Name: 1,3-dichloro-5-hydroxy-8-(4-methylphenyl)isoquinoline-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,3-dichloro-5-hydroxy-8-(4-methylphenyl)isoquinoline-6,7-dicarboxylate Traditional Name: 1,3-dichloro-5-hydroxy-8-(p-tolyl)isoquinoline-6,7-dicarboxylic acid dimethyl ester Formula: C20H15Cl2NO5 MolecularWeight: 420.2428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(C3=CC(=NC(=C32)Cl)Cl)O)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(C3=CC(=NC(=C32)Cl)Cl)O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H15Cl2NO5/c1-9-4-6-10(7-5-9)13-14-11(8-12(21)23-18(14)22)17(24)16(20(26)28-3)15(13)19(25)27-2/h4-8,24H,1-3H3