(7-chloranyl-1,3-benzodioxol-5-yl)methyl 6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-phenyl-3-pyridazinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-phenyl-pyridazine-3-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H15ClN2O5/c1-12-7-16(24)18(22-23(12)14-5-3-2-4-6-14)20(25)26-10-13-8-15(21)19-17(9-13)27-11-28-19/h2-9H,10-11H2,1H3