[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2,3,6-tris(chloranyl)benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2,3,6-tris(chloranyl)benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C13H13Cl3N2O4 MolecularWeight: 367.61232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

InChI

InChI=1S/C13H13Cl3N2O4/c1-5(2)10(11(19)18-13(17)21)22-12(20)8-6(14)3-4-7(15)9(8)16/h3-5,10H,1-2H3,(H3,17,18,19,21)