(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H13ClN2O5 MolecularWeight: 372.75922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H13ClN2O5/c19-13-7-10(8-14-16(13)25-6-5-24-14)9-26-18(23)15-11-3-1-2-4-12(11)17(22)21-20-15/h1-4,7-8H,5-6,9H2,(H,21,22)