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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-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-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C23H15ClN2O5 MolecularWeight: 434.8286

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)Cl

InChI

InChI=1S/C23H15ClN2O5/c24-18-10-14(11-19-21(18)31-13-30-19)12-29-23(28)20-16-8-4-5-9-17(16)22(27)26(25-20)15-6-2-1-3-7-15/h1-11H,12-13H2