[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C12H14ClN3O4 MolecularWeight: 299.71026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O4/c1-6(2)9(10(17)16-12(14)19)20-11(18)7-3-4-8(13)15-5-7/h3-6,9H,1-2H3,(H3,14,16,17,19)/t9-/m1/s1