[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=O)NC2=CC=CC=C21

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC(=O)NC2=CC=CC=C21

InChI

InChI=1S/C16H17N3O5/c1-8(2)13(14(21)19-16(17)23)24-15(22)10-7-12(20)18-11-6-4-3-5-9(10)11/h3-8,13H,1-2H3,(H,18,20)(H3,17,19,21,23)/t13-/m1/s1