methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(piperonyloylamino)isoquinoline-4-carboxylic acid methyl ester Formula: C19H14N2O6 MolecularWeight: 366.32426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H14N2O6/c1-25-19(24)14-9-21(18(23)13-5-3-2-4-12(13)14)20-17(22)11-6-7-15-16(8-11)27-10-26-15/h2-9H,10H2,1H3,(H,20,22)