[(2R)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(2-benzoylhydrazino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@H](C(=O)NNC(=O)C1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H17N3O5/c1-12(17(24)22-23-18(25)13-7-3-2-4-8-13)28-20(27)16-11-14-9-5-6-10-15(14)19(26)21-16/h2-12H,1H3,(H,21,26)(H,22,24)(H,23,25)/t12-/m1/s1