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

Systemtic Name: [(2R)-1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-2-(2-benzoylhydrazino)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)NNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4/c1-13-12-17(16-10-6-7-11-18(16)22-13)21(27)28-14(2)19(25)23-24-20(26)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,23,25)(H,24,26)/t14-/m1/s1