1,3-benzodioxol-5-yl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5/c1-12(2)10-22-19(23)15-6-4-3-5-14(15)18(21-22)20(24)27-13-7-8-16-17(9-13)26-11-25-16/h3-9,12H,10-11H2,1-2H3