(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H17ClN2O6 MolecularWeight: 416.81178

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCO)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCO)Cl

InChI

InChI=1S/C20H17ClN2O6/c21-14-7-12-9-27-11-29-18(12)13(8-14)10-28-20(26)17-15-3-1-2-4-16(15)19(25)23(22-17)5-6-24/h1-4,7-8,24H,5-6,9-11H2