[(2R)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 2-chloranylquinoline-4-carboxylate Openeye Name: [(1R)-2-(2-benzoylhydrazino)-1-methyl-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [(2R)-1-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [(1R)-2-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C20H16ClN3O4 MolecularWeight: 397.81174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

C[C@H](C(=O)NNC(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C20H16ClN3O4/c1-12(18(25)23-24-19(26)13-7-3-2-4-8-13)28-20(27)15-11-17(21)22-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,23,25)(H,24,26)/t12-/m1/s1