(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H17ClN2O5/c1-2-7-23-19(24)14-6-4-3-5-13(14)17(22-23)20(25)26-10-12-8-15(21)18-16(9-12)27-11-28-18/h3-6,8-9H,2,7,10-11H2,1H3