3-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C20H14N3O4- MolecularWeight: 360.34286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C20H15N3O4/c1-11(18(24)15-10-21-16-9-5-4-6-12(15)16)23-19(25)14-8-3-2-7-13(14)17(22-23)20(26)27/h2-11,21H,1H3,(H,26,27)/p-1/t11-/m1/s1