[2,6-bis(chloranyl)phenyl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2,6-bis(chloranyl)phenyl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (2,6-dichlorophenyl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (2,6-dichlorophenyl)methyl ester IUPAC Name: (2,6-dichlorophenyl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (2,6-dichlorobenzyl) ester Formula: C17H11Cl2NO3 MolecularWeight: 348.18014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C17H11Cl2NO3/c18-13-6-3-7-14(19)12(13)9-23-17(22)15-8-10-4-1-2-5-11(10)16(21)20-15/h1-8H,9H2,(H,20,21)