[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C12H14BrN3O4 MolecularWeight: 344.16126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrN3O4/c1-6(2)9(10(17)16-12(14)19)20-11(18)7-3-8(13)5-15-4-7/h3-6,9H,1-2H3,(H3,14,16,17,19)