[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-chloranylbenzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-chloranylbenzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C13H15ClN2O4 MolecularWeight: 298.7222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O4/c1-7(2)10(11(17)16-13(15)19)20-12(18)8-4-3-5-9(14)6-8/h3-7,10H,1-2H3,(H3,15,16,17,19)/t10-/m1/s1