[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C13H16BrN3O4 MolecularWeight: 358.18784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O4/c1-6(2)10(11(18)17-13(16)20)21-12(19)8-5-7(14)3-4-9(8)15/h3-6,10H,15H2,1-2H3,(H3,16,17,18,20)/t10-/m1/s1