[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O6/c1-2-24-20(26)15-6-4-3-5-14(15)19(23-24)21(27)28-11-18(25)22-10-13-7-8-16-17(9-13)30-12-29-16/h3-9H,2,10-12H2,1H3,(H,22,25)