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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O4/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-/m1/s1