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

Systemtic Name: 3-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl]phthalazine-1-carboxylate Formula: C20H16N3O6- MolecularWeight: 394.35754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C20H17N3O6/c1-11(18(24)21-9-12-6-7-15-16(8-12)29-10-28-15)23-19(25)14-5-3-2-4-13(14)17(22-23)20(26)27/h2-8,11H,9-10H2,1H3,(H,21,24)(H,26,27)/p-1/t11-/m1/s1