(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H15ClN2O5 MolecularWeight: 386.7858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl)OC1

InChI

InChI=1S/C19H15ClN2O5/c20-14-8-11(9-15-17(14)26-7-3-6-25-15)10-27-19(24)16-12-4-1-2-5-13(12)18(23)22-21-16/h1-2,4-5,8-9H,3,6-7,10H2,(H,22,23)