[2-(dimethylamino)-2-oxidanylidene-ethyl] 5-oxidanylisoquinoline-1-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 5-oxidanylisoquinoline-1-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 5-hydroxyisoquinoline-1-carboxylate CAS Name: 5-hydroxy-1-isoquinolinecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 5-hydroxyisoquinoline-1-carboxylate Traditional Name: 5-hydroxyisoquinoline-1-carboxylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C14H14N2O4 MolecularWeight: 274.27196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1=NC=CC2=C1C=CC=C2O

Isomeric SMILES

CN(C)C(=O)COC(=O)C1=NC=CC2=C1C=CC=C2O

InChI

InChI=1S/C14H14N2O4/c1-16(2)12(18)8-20-14(19)13-10-4-3-5-11(17)9(10)6-7-15-13/h3-7,17H,8H2,1-2H3