methyl 9-chloranyl-8-(hydroxymethyl)-1-oxidanylidene-2H-benzo[h]isoquinoline-6-carboxylate

Systemtic Name: methyl 9-chloranyl-8-(hydroxymethyl)-1-oxidanylidene-2H-benzo[h]isoquinoline-6-carboxylate Openeye Name: methyl 9-chloro-8-(hydroxymethyl)-1-oxo-2H-benzo[h]isoquinoline-6-carboxylate CAS Name: 9-chloro-8-(hydroxymethyl)-1-oxo-2H-benzo[h]isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 9-chloro-8-(hydroxymethyl)-1-oxo-2H-benzo[h]isoquinoline-6-carboxylate Traditional Name: 9-chloro-1-keto-8-methylol-2H-benz[h]isoquinoline-6-carboxylic acid methyl ester Formula: C16H12ClNO4 MolecularWeight: 317.72378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=C(C(=CC2=C3C(=C1)C=CNC3=O)Cl)CO

Isomeric SMILES

COC(=O)C1=C2C=C(C(=CC2=C3C(=C1)C=CNC3=O)Cl)CO

InChI

InChI=1S/C16H12ClNO4/c1-22-16(21)12-4-8-2-3-18-15(20)14(8)11-6-13(17)9(7-19)5-10(11)12/h2-6,19H,7H2,1H3,(H,18,20)