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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C17H11ClN2O5 MolecularWeight: 358.73264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)COC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)COC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C17H11ClN2O5/c18-12-5-9(6-13-15(12)25-8-24-13)7-23-17(22)14-10-3-1-2-4-11(10)16(21)20-19-14/h1-6H,7-8H2,(H,20,21)