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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H19ClN2O5/c1-2-3-8-24-20(25)15-7-5-4-6-14(15)18(23-24)21(26)27-11-13-9-16(22)19-17(10-13)28-12-29-19/h4-7,9-10H,2-3,8,11-12H2,1H3