methyl 2-[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[2-(2,4-dichlorophenoxy)propanoylamino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C20H16Cl2N2O5 MolecularWeight: 435.25744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN1C=C(C2=CC=CC=C2C1=O)C(=O)OC)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)NN1C=C(C2=CC=CC=C2C1=O)C(=O)OC)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O5/c1-11(29-17-8-7-12(21)9-16(17)22)18(25)23-24-10-15(20(27)28-2)13-5-3-4-6-14(13)19(24)26/h3-11H,1-2H3,(H,23,25)