[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C12H13Cl2N3O4 MolecularWeight: 334.15532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2N3O4/c1-5(2)8(10(18)17-12(15)20)21-11(19)6-3-7(13)9(14)16-4-6/h3-5,8H,1-2H3,(H3,15,17,18,20)