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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-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)C2=CC=CC=C2N1

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC(=O)C2=CC=CC=C2N1

InChI

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