[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C13H16FN3O4 MolecularWeight: 297.282243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(C=C(C=C1)F)N

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3O4/c1-6(2)10(11(18)17-13(16)20)21-12(19)8-4-3-7(14)5-9(8)15/h3-6,10H,15H2,1-2H3,(H3,16,17,18,20)/t10-/m0/s1